data_2lok_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 2lok _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 ' 4' ' ' ILE . . . . . . . . . . . . . 10.9 mt . . . . . 0 CA--C 1.543 0.684 0 N-CA-C 109.588 -0.523 . . . . 73.25 109.588 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -56.96 125.84 20.3 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 123.085 2.523 . . . . 75.45 111.208 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -164.41 -47.75 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 125.917 1.687 . . . . 74.12 108.395 -168.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.82 30.42 0.49 Allowed 'Trans proline' 0 C--N 1.397 3.124 0 C-N-CA 122.168 1.912 . . . . 75.14 112.16 168.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.428 HG22 ' H ' ' A' ' 148' ' ' ALA . 25.3 m -61.53 -29.26 45.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.354 1.061 . . . . 75.03 110.77 168.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -84.17 25.92 0.8 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 124.109 0.964 . . . . 73.42 111.526 171.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 26.7 -104.47 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.511 1.524 . . . . 74.33 112.921 -164.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 t -120.38 155.54 33.21 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 105.332 -2.099 . . . . 73.11 105.332 163.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -56.28 -25.79 49.56 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 119.276 0.944 . . . . 75.02 113.187 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.64 -51.26 69.2 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.574 0.75 . . . . 72.44 109.826 172.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.42 -18.48 52.13 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.034 -0.985 . . . . 64.1 112.325 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.474 ' O ' HG13 ' A' ' 19' ' ' ILE . 25.8 t90 -75.14 -48.91 21.39 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.581 -0.896 . . . . 74.24 108.581 174.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -60.23 -39.45 86.72 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.598 -0.728 . . . . 70.15 110.135 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.18 93.3 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.548 0.739 . . . . 73.24 112.181 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.55 -54.07 46.14 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.159 0.584 . . . . 75.04 109.491 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.522 HG12 HD12 ' A' ' 153' ' ' LEU . 64.6 mt -63.93 -46.17 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.204 1.002 . . . . 71.52 111.688 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.87 95.68 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.392 0.677 . . . . 71.52 110.761 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.16 -33.17 69.78 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.256 -0.429 . . . . 62.24 111.96 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.25 -36.69 58.36 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.218 0.607 . . . . 71.23 109.893 -175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.456 HH11 ' HB2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -78.37 -31.26 48.38 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.026 -0.533 . . . . 74.34 109.972 176.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.0 82.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.961 0.504 . . . . 61.52 110.499 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.73 -54.86 36.85 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.864 -1.062 . . . . 73.02 110.377 171.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -66.45 -15.42 63.32 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.479 0.712 . . . . 75.23 112.22 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.606 ' HA ' HD23 ' A' ' 49' ' ' LEU . 24.4 t70 -80.91 -51.37 8.64 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.179 0.592 . . . . 74.04 111.018 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -83.81 -25.86 30.04 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 113.376 0.88 . . . . 73.5 113.376 -175.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.81 -42.4 89.05 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.368 0.604 . . . . 74.54 112.059 -170.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.618 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -92.4 -13.08 30.62 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.249 0.833 . . . . 74.44 113.249 -178.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.7 -44.81 8.79 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.354 0.661 . . . . 71.45 111.331 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.0 p -99.08 -57.86 2.07 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.338 1.055 . . . . 72.3 111.024 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -70.94 141.06 51.1 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.604 0.762 . . . . 75.42 111.302 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.9 -10.94 58.58 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.243 1.017 . . . . 65.13 112.405 -171.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -65.87 -24.88 66.96 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.013 0.925 . . . . 74.33 112.444 -173.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -146.38 79.52 10.54 Favored Pre-proline 0 C--O 1.212 -0.899 0 N-CA-C 108.429 -0.952 . . . . 75.11 108.429 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.21 127.45 8.36 Favored 'Trans proline' 0 C--N 1.362 1.264 0 C-N-CA 122.078 1.852 . . . . 74.42 111.811 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.618 HG13 ' HB2' ' A' ' 30' ' ' LEU . 59.6 mt -68.93 135.0 89.75 Favored Pre-proline 0 CA--C 1.554 1.127 0 N-CA-C 107.686 -1.228 . . . . 71.33 107.686 168.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -45.79 129.93 12.26 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 123.71 2.94 . . . . 72.12 112.154 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -48.01 -30.42 13.9 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 124.312 3.341 . . . . 73.13 114.768 -168.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.47 -50.25 68.19 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.76 0.424 . . . . 74.42 111.541 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.81 -35.82 50.94 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.663 0.785 . . . . 64.24 110.364 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -63.86 -32.21 73.65 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.059 0.944 . . . . 74.44 110.982 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.74 -36.2 86.89 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 116.228 -0.442 . . . . 63.25 112.435 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.4 14.52 11.05 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.669 0.788 . . . . 74.04 112.399 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -68.0 110.18 3.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.064 0.546 . . . . 74.11 110.682 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -102.72 -33.33 9.45 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.657 0.783 . . . . 74.4 109.881 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.27 144.28 3.9 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-O 119.436 -0.647 . . . . 62.32 111.971 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.606 HD23 ' HA ' ' A' ' 27' ' ' ASP . 3.7 mm? -66.62 172.24 4.37 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.78 0.832 . . . . 63.11 112.688 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.403 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -75.12 134.45 41.28 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.668 -1.151 . . . . 75.42 110.794 -173.304 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.456 ' HB2' HH11 ' A' ' 23' ' ' ARG . 89.9 t80 -124.31 119.64 29.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.37 -0.974 . . . . 72.24 108.37 173.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' HE1' ' HB3' ' A' ' 50' ' ' ARG . 1.4 m-85 -99.58 154.81 17.97 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 107.807 -1.183 . . . . 62.33 107.807 174.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -67.46 142.39 56.65 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.048 -0.723 . . . . 73.44 109.048 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.81 111.36 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.278 0.986 . . . . 74.3 109.569 -172.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -100.68 105.03 16.35 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 109.511 -0.551 . . . . 74.31 109.511 -166.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.26 57.85 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.036 -0.983 . . . . 71.34 111.401 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.4 t -74.18 -33.88 63.61 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.197 0.599 . . . . 64.15 110.705 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.472 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 30.2 m-85 -88.41 6.5 37.19 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.308 0.643 . . . . 75.34 111.107 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.551 ' HG3' ' HB3' ' A' ' 150' ' ' ASP . 48.0 ttp180 -98.6 93.16 5.97 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.899 -1.519 . . . . 72.42 106.899 169.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.5 m -99.3 155.06 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 108.877 -0.786 . . . . 75.34 108.877 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.14 118.89 31.74 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.137 -1.06 . . . . 73.05 108.137 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . . . -108.41 131.31 54.9 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.621 0.768 . . . . 63.04 110.077 -172.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.01 107.34 5.31 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.49 -0.93 . . . . 75.43 108.49 -177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -76.95 126.2 30.57 Favored 'General case' 0 C--O 1.249 1.074 0 C-N-CA 123.496 0.718 . . . . 74.35 109.747 -173.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -131.48 106.8 14.46 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 108.165 -1.05 . . . . 74.01 108.165 171.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.35 151.25 65.58 Favored 'Trans proline' 0 C--N 1.366 1.453 0 C-N-CA 122.052 1.835 . . . . 75.54 110.524 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.88 97.26 1.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.375 -0.972 . . . . 61.44 108.375 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -54.48 -28.94 48.23 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.265 1.426 . . . . 71.25 111.541 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -125.52 83.91 61.0 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.509 1.124 . . . . 74.13 109.081 171.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 127.08 9.29 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.812 2.342 . . . . 74.11 111.982 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 13.4 pt-20 -136.92 157.74 46.05 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.867 0.365 . . . . 71.21 110.618 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.29 115.18 21.23 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.901 0.88 . . . . 73.13 109.937 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 15.1 m -106.41 155.58 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 108.523 -0.917 . . . . 74.42 108.523 175.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -97.93 116.71 30.69 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.502 -0.925 . . . . 74.41 108.502 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -101.29 134.06 44.93 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 107.348 -1.353 . . . . 74.51 107.348 171.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.72 157.88 26.21 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 109.934 -0.395 . . . . 64.0 109.934 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 68.0 p -139.3 150.79 45.84 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.012 -0.736 . . . . 71.4 109.012 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.441 HG21 ' SG ' ' A' ' 167' ' ' CYS . 33.9 p -77.76 -18.04 56.9 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.0 0.52 . . . . 73.35 109.845 172.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -71.9 -34.06 68.83 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.549 1.14 . . . . 63.13 112.528 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.04 -121.36 1.15 Allowed Glycine 0 C--N 1.342 0.877 0 CA-C-O 118.296 -1.28 . . . . 72.53 111.482 -175.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.09 144.25 80.64 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.037 2.491 . . . . 72.41 112.917 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -64.63 149.98 88.95 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.412 2.074 . . . . 70.5 112.526 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.65 120.98 39.01 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.864 0.866 . . . . 73.44 109.698 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 10.0 pt-20 -79.99 127.03 31.79 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.132 0.492 . . . . 74.3 110.568 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.584 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.9 m-85 -127.69 138.86 52.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.46 -0.941 . . . . 71.11 108.46 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.9 m -84.59 137.36 33.34 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.255 -0.646 . . . . 70.33 109.255 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.496 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 19.3 mtm105 -67.68 108.46 2.93 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.48 -0.933 . . . . 74.44 108.48 175.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.44 -48.16 7.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.75 0.42 . . . . 74.35 110.656 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.46 172.34 18.39 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.62 -0.718 . . . . 64.24 110.903 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.575 HG12 HG22 ' A' ' 101' ' ' THR . 23.5 t -136.49 125.81 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 125.229 1.412 . . . . 74.01 107.364 171.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.596 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 2.2 mm? -103.04 121.03 41.74 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.958 0.903 . . . . 75.03 110.989 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.62 113.8 4.84 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 111.242 -0.743 . . . . 54.15 111.242 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.637 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 27.8 p90 -141.43 174.28 10.7 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.124 -0.695 . . . . 75.43 109.124 -172.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.501 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 5.3 p-10 -131.25 142.8 50.2 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.19 -0.67 . . . . 74.11 109.19 175.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.9 tp -159.47 140.71 12.8 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.611 0.764 . . . . 74.52 109.197 -173.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.94 -111.71 4.41 Favored Glycine 0 C--N 1.349 1.297 0 C-N-CA 121.659 -0.305 . . . . 75.55 112.616 172.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -97.42 -21.22 17.29 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.279 0.632 . . . . 73.21 112.299 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m -135.84 150.41 49.4 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 114.155 1.169 . . . . 73.13 114.155 -163.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 26.8 t60 -86.15 130.76 34.42 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.606 -1.179 . . . . 72.13 108.066 165.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -136.59 162.04 34.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.197 0.599 . . . . 74.35 110.238 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.575 HG22 HG12 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -125.01 120.08 30.54 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 106.263 -1.754 . . . . 73.3 106.263 -177.625 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.637 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 10.3 tp -116.58 136.83 52.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.545 0.738 . . . . 75.23 109.36 -163.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.1 m -88.48 125.03 34.56 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 120.824 0.345 . . . . 71.33 110.994 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -104.02 126.4 51.11 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 124.462 1.105 . . . . 53.32 109.006 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.584 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 40.1 m-85 -106.09 162.63 13.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.377 0.608 . . . . 63.24 111.241 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -96.45 133.54 40.74 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.249 1.419 . . . . 75.43 107.749 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.618 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 40.4 t -105.05 123.5 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.089 -1.078 . . . . 75.33 108.089 165.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.54 116.18 1.8 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.311 1.045 . . . . 73.33 111.84 176.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.63 -18.52 54.99 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 115.397 -0.82 . . . . 72.31 112.962 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.618 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 12.5 tp10 -97.06 126.42 42.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.757 0.823 . . . . 64.54 109.676 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.6 m -76.16 -22.77 55.01 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.403 1.081 . . . . 74.22 111.646 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.9 m -88.9 136.75 32.85 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.273 0.629 . . . . 75.03 109.435 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 38.0 mt -80.58 142.29 34.22 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.987 0.915 . . . . 72.45 109.634 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.35 108.01 19.51 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.574 -1.269 . . . . 72.31 107.574 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.2 t -101.11 102.69 21.41 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 109.108 -0.701 . . . . 75.32 109.108 175.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.524 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 28.4 Cg_endo -85.16 120.93 2.27 Favored 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.899 2.399 . . . . 75.15 109.592 169.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -147.51 166.51 27.07 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.917 0.389 . . . . 73.54 111.127 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.5 p -129.15 165.94 20.31 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.11 0.964 . . . . 74.41 108.808 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.432 ' H ' ' HG1' ' A' ' 122' ' ' THR . 7.6 p-10 -158.27 -165.77 1.78 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.022 0.929 . . . . 73.23 109.411 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.72 -26.24 59.67 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.804 0.668 . . . . 74.01 112.804 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.519 ' HB ' ' NH2' ' A' ' 132' ' ' ARG . 4.5 m -80.0 -29.26 39.4 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.81 0.444 . . . . 63.53 110.935 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 35.6 p -75.96 -38.6 57.36 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.613 0.365 . . . . 74.44 110.077 172.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -59.76 -34.23 72.71 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.353 0.661 . . . . 74.41 110.979 170.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -75.41 -12.8 60.33 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.408 1.083 . . . . 73.13 110.97 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.84 -6.73 58.02 Favored Glycine 0 C--N 1.35 1.316 0 N-CA-C 115.958 1.143 . . . . 75.24 115.958 174.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -92.54 1.71 57.1 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 118.2 1.0 . . . . 73.31 112.273 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.2 p -127.11 164.38 21.73 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 106.687 -1.597 . . . . 73.42 106.687 155.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 130' ' ' HIS . 19.1 t80 -53.83 98.94 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.323 1.015 . . . . 75.21 111.429 -168.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 0.0 OUTLIER -62.22 -31.05 71.54 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.955 1.302 . . . . 71.11 112.425 -168.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 128' ' ' TYR . 53.3 m80 -75.72 -12.38 60.18 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 116.519 -0.31 . . . . 71.1 110.833 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 142.09 152.39 5.7 Favored Glycine 0 C--N 1.356 1.686 0 C-N-CA 122.749 0.214 . . . . 55.31 113.187 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.524 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 56.4 mtt180 -108.46 144.58 35.89 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.795 0.838 . . . . 75.2 108.761 175.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -96.15 140.4 30.92 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.442 -0.577 . . . . 61.21 109.442 166.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.1 tt -123.23 131.73 53.78 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.874 -1.158 . . . . 75.0 107.874 171.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -94.02 100.11 12.3 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.261 -1.014 . . . . 73.13 108.261 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 56.6 t -107.34 122.65 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 122.933 0.493 . . . . 61.33 109.781 -173.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.94 118.89 74.33 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 109.262 -0.644 . . . . 72.55 109.262 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -67.9 -32.87 28.02 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.379 2.053 . . . . 73.11 112.09 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 54.05 33.47 17.71 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.344 1.058 . . . . 72.25 112.106 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.39 39.58 52.32 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 115.44 -0.8 . . . . 71.54 114.76 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.08 167.63 21.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.796 0.438 . . . . 75.21 111.416 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.87 173.35 11.63 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.762 -0.829 . . . . 75.25 108.762 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -55.93 109.59 1.53 Allowed Glycine 0 C--N 1.352 1.432 0 O-C-N 123.685 0.616 . . . . 61.01 113.457 -175.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.84 -5.45 27.52 Favored Glycine 0 N--CA 1.471 1.008 0 CA-C-O 119.557 -0.579 . . . . 63.35 113.779 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -87.37 -171.44 3.47 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.946 -0.761 . . . . 75.41 108.946 171.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -142.85 158.23 43.83 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.23 0.538 . . . . 64.11 111.928 173.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.3 m -139.69 154.09 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.773 1.229 . . . . 73.22 108.536 176.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.428 ' H ' HG22 ' A' ' 8' ' ' VAL . . . -79.06 118.93 21.5 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.573 0.225 . . . . 73.31 110.722 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.7 mt -93.5 86.63 5.28 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 108.002 -1.11 . . . . 70.5 108.002 167.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.551 ' HB3' ' HG3' ' A' ' 59' ' ' ARG . 0.6 OUTLIER -84.91 95.95 9.19 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.059 -0.973 . . . . 53.25 108.89 173.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.544 ' HB3' HG21 ' A' ' 180' ' ' ILE . 22.4 m-85 -69.65 -15.91 63.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.346 1.058 . . . . 73.21 111.826 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -56.62 -27.11 57.56 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.25 0.62 . . . . 73.32 110.138 169.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.522 HD12 HG12 ' A' ' 19' ' ' ILE . 2.9 mm? -101.41 17.95 21.36 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.47 1.108 . . . . 75.41 111.815 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -73.28 104.98 4.49 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.727 -1.212 . . . . 60.44 107.727 165.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -98.93 176.13 5.7 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 122.287 1.041 . . . . 73.53 110.928 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -113.24 139.26 22.91 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 113.731 -1.577 . . . . 73.11 109.281 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.58 150.24 4.1 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.934 2.423 . . . . 74.11 113.173 168.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -66.76 -4.32 8.78 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.517 0.727 . . . . 75.02 112.893 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 163' ' ' GLY . 11.3 m -65.74 -29.14 69.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.989 0.916 . . . . 74.14 111.857 172.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.87 -21.85 66.49 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.875 0.87 . . . . 73.14 112.063 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . 0.42 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 3.2 m-85 -84.21 -1.84 55.85 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.328 1.051 . . . . 75.04 110.835 -175.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.77 12.53 37.25 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 123.731 0.644 . . . . 64.44 112.734 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -100.11 159.97 19.37 Favored Glycine 0 C--N 1.351 1.393 0 N-CA-C 111.993 -0.443 . . . . 72.11 111.993 176.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 46.8 m -101.39 84.89 2.68 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.781 0.432 . . . . 74.22 110.429 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -113.52 178.32 4.32 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.4 0.68 . . . . 75.54 111.329 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 53.2 p -91.05 105.99 18.21 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.365 0.666 . . . . 75.3 110.931 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . 0.441 ' SG ' HG21 ' A' ' 78' ' ' THR . 24.4 p -93.42 116.07 28.61 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.823 -1.177 . . . . 63.51 107.823 174.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -71.54 93.56 1.22 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.5 -0.555 . . . . 71.41 109.5 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 42.6 mt -65.42 110.27 4.15 Favored Pre-proline 0 C--O 1.242 0.67 0 C-N-CA 123.767 0.827 . . . . 72.21 108.802 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -74.65 161.25 39.93 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 122.257 1.971 . . . . 72.31 112.205 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.39 155.48 61.9 Favored 'Trans proline' 0 C--N 1.371 1.721 0 C-N-CA 122.159 1.906 . . . . 74.54 110.806 168.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.39 -15.25 47.79 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.761 0.824 . . . . 75.13 113.11 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.05 -15.17 62.02 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.126 0.97 . . . . 73.44 111.2 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -94.18 18.44 10.87 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.136 0.974 . . . . 73.4 111.361 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -94.85 123.26 38.21 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.589 -0.523 . . . . 74.15 109.589 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 58.5 t -94.67 129.03 37.55 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 123.5 0.72 . . . . 64.31 109.136 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -74.25 56.09 3.71 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 124.023 3.149 . . . . 73.25 112.643 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.7 152.97 32.34 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.058 0.943 . . . . 72.54 109.222 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.06 122.01 33.34 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.02 -0.733 . . . . 72.45 109.02 170.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . 0.544 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -106.21 88.95 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 106.981 -1.489 . . . . 72.11 106.981 175.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 16.9 p -71.23 -26.14 62.79 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.356 -0.838 . . . . 73.43 112.522 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 121.302 0.572 . . . . 71.14 110.312 178.673 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.0 tt . . . . . 0 CA--C 1.566 1.595 0 N-CA-C 107.582 -1.266 . . . . 74.33 107.582 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 19.1 Cg_endo -65.05 125.42 14.63 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 121.366 1.378 . . . . 52.21 111.813 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 171.12 -49.41 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 125.637 1.575 . . . . 75.24 108.485 -169.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.24 21.16 0.62 Allowed 'Trans proline' 0 C--N 1.397 3.126 0 C-N-CA 122.803 2.335 . . . . 74.02 112.613 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.1 m -65.86 -27.31 40.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.451 1.1 . . . . 73.22 109.278 172.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 t -80.57 83.0 6.45 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 115.508 -0.769 . . . . 74.33 109.165 166.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -37.65 153.51 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 125.272 1.429 . . . . 42.11 113.427 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -54.64 139.42 38.67 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.729 0.812 . . . . 73.44 110.37 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -37.73 -47.53 0.99 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.432 1.641 . . . . 70.41 115.432 -165.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.87 -52.51 59.69 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.278 0.631 . . . . 72.35 111.411 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -74.46 -25.0 59.13 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.141 0.576 . . . . 53.14 111.242 -176.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.456 ' O ' HG13 ' A' ' 19' ' ' ILE . 21.0 t90 -64.35 -54.82 27.06 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.799 1.239 . . . . 74.15 109.388 173.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -55.61 -38.56 69.61 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 115.027 -0.988 . . . . 72.31 109.841 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.75 97.42 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.847 -0.597 . . . . 74.54 112.14 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 26.4 mmt180 -59.87 -48.75 80.43 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.639 0.375 . . . . 75.03 110.073 175.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 15' ' ' TRP . 23.7 mt -62.7 -43.53 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 115.64 -0.709 . . . . 74.31 110.643 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.24 89.76 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 114.76 -1.109 . . . . 61.43 110.571 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.96 73.76 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.498 0.719 . . . . 71.0 111.448 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -59.43 -53.62 56.12 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.915 0.886 . . . . 74.21 109.819 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -65.03 -41.57 95.14 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-N 114.834 -1.075 . . . . 73.14 111.111 -178.45 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.97 91.9 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.349 0.522 . . . . 53.53 111.402 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.72 -48.73 80.47 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.802 0.689 . . . . 74.42 110.557 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 40.2 mmtm -72.94 -20.59 61.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.562 -0.29 . . . . 74.15 111.408 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' HA ' HD21 ' A' ' 49' ' ' LEU . 8.1 t70 -70.84 -45.14 65.07 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.547 -0.908 . . . . 62.25 108.547 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.61 -18.55 47.85 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.448 -0.796 . . . . 72.54 111.7 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 37.7 t80 -60.56 -67.37 0.4 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.895 0.478 . . . . 74.13 110.867 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.516 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.17 -3.99 23.06 Favored 'General case' 0 CA--C 1.565 1.558 0 N-CA-C 113.264 0.838 . . . . 74.41 113.264 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.45 -47.63 5.6 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.68 0.792 . . . . 72.45 112.302 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 t -138.04 45.9 2.09 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-O 122.553 1.168 . . . . 64.01 110.669 -173.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 80.6 m80 -149.07 134.71 18.69 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 113.947 -1.479 . . . . 74.43 109.661 173.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.05 -36.2 72.43 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.331 1.452 . . . . 75.11 111.881 -175.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -61.6 -25.58 67.43 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.904 1.076 . . . . 72.14 113.904 -167.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.476 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 59.5 m -144.74 106.33 4.61 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 107.217 -1.401 . . . . 71.04 107.217 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -90.87 124.61 0.97 Allowed 'Trans proline' 0 CA--C 1.551 1.357 0 C-N-CA 122.192 1.928 . . . . 71.31 112.797 173.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.516 HG13 ' HB2' ' A' ' 30' ' ' LEU . 40.4 mt -71.33 130.81 87.26 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 107.684 -1.228 . . . . 74.32 107.684 162.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -44.5 131.24 9.52 Favored 'Trans proline' 0 C--N 1.385 2.493 0 C-N-CA 123.52 2.813 . . . . 74.41 113.104 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -53.02 -26.84 33.68 Favored 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 124.083 3.189 . . . . 75.13 115.393 -167.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.62 94.24 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.415 0.286 . . . . 73.2 111.545 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -83.46 -41.7 17.75 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.391 0.676 . . . . 63.33 110.785 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -62.83 -30.6 71.61 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.55 0.74 . . . . 75.42 111.473 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.16 -40.92 99.7 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 116.03 -0.532 . . . . 74.34 112.334 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.12 30.25 3.53 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.231 1.012 . . . . 73.3 111.095 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -74.36 117.15 15.85 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 120.952 0.406 . . . . 74.51 110.773 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -102.52 -37.21 8.09 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 108.617 -0.883 . . . . 71.21 108.617 169.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.33 175.54 33.46 Favored Glycine 0 C--O 1.241 0.584 0 CA-C-N 114.172 -1.376 . . . . 72.45 110.209 -174.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.467 HD23 HD21 ' A' ' 30' ' ' LEU . 4.0 mm? -83.29 -168.03 1.93 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.38 -0.6 . . . . 71.34 109.38 167.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.21 177.47 4.62 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.902 -0.777 . . . . 72.22 108.902 -172.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -158.71 146.46 17.95 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.434 0.459 . . . . 75.41 111.747 176.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -88.05 167.77 13.39 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 108.251 -1.018 . . . . 75.12 108.251 159.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -76.0 145.03 40.55 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 109.201 -0.666 . . . . 73.11 109.201 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.5 mm -72.39 113.63 9.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 123.25 0.62 . . . . 74.45 109.402 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -123.8 123.04 39.61 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.34 0.656 . . . . 71.35 110.585 -169.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.79 -11.35 59.62 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.464 1.106 . . . . 73.1 113.697 -175.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -79.04 -29.61 43.62 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 118.547 0.612 . . . . 74.4 109.591 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.529 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 62.0 m-85 -76.36 0.61 18.9 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.985 0.514 . . . . 75.43 111.283 171.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.536 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 53.1 ttp85 -102.94 87.37 2.91 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.392 -0.966 . . . . 73.05 108.392 175.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.6 m -99.63 156.34 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 115.894 -0.594 . . . . 74.12 110.048 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.87 138.78 33.78 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.446 -0.946 . . . . 71.41 108.446 175.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' ' 91' ' ' LEU . . . -129.59 140.34 51.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 122.95 0.5 . . . . 74.23 109.825 175.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -72.98 117.82 15.17 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 107.595 -1.261 . . . . 70.32 107.595 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -80.3 110.86 16.14 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 124.215 0.947 . . . . 72.11 108.804 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -110.88 101.69 50.41 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 108.286 -1.005 . . . . 72.33 108.286 169.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.78 153.11 76.63 Favored 'Trans proline' 0 C--N 1.365 1.441 0 C-N-CA 122.683 2.255 . . . . 74.15 111.079 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.86 98.56 1.59 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.374 -0.973 . . . . 74.12 108.374 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -57.95 -29.47 65.21 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.31 1.044 . . . . 75.12 111.029 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -144.82 91.71 6.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 124.418 1.087 . . . . 73.13 108.099 171.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.514 ' HB3' ' O ' ' A' ' 87' ' ' ARG . 5.5 Cg_exo -75.66 150.89 36.0 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.43 2.753 . . . . 70.44 112.392 -175.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.22 166.64 26.41 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.798 0.839 . . . . 73.22 110.146 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.2 135.18 34.46 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 123.401 0.68 . . . . 75.05 109.318 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 35.1 m -128.08 154.98 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.789 1.236 . . . . 75.24 108.676 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -105.61 106.15 16.52 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.23 -0.656 . . . . 74.13 109.23 -173.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -91.19 134.8 34.25 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 107.813 -1.181 . . . . 73.44 107.813 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.75 153.88 35.03 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.788 0.435 . . . . 64.24 110.032 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.4 p -136.41 167.7 20.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.251 0.621 . . . . 75.35 110.464 -177.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.6 p -98.63 -31.38 11.96 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.499 1.12 . . . . 73.14 110.94 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -72.57 -32.82 66.34 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.21 0.604 . . . . 71.33 112.537 -176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.49 -120.75 0.98 Allowed Glycine 0 C--N 1.346 1.112 0 CA-C-O 118.451 -1.194 . . . . 70.11 112.397 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -56.79 137.95 83.49 Favored 'Trans proline' 0 C--N 1.384 2.447 0 C-N-CA 123.829 3.02 . . . . 74.33 112.784 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -64.14 145.08 88.68 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 123.026 2.484 . . . . 73.24 112.822 -173.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.26 111.84 19.75 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.77 0.828 . . . . 72.11 109.646 -175.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 38.5 mt-10 -88.59 118.04 27.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.283 0.633 . . . . 75.24 110.266 -178.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.44 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 63.5 m-85 -126.99 147.87 50.11 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.08 0.952 . . . . 74.02 109.269 -176.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.4 m -86.29 135.85 33.39 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 109.072 -0.714 . . . . 75.1 109.072 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.514 ' O ' ' HB3' ' A' ' 70' ' ' PRO . 15.5 mtm180 -74.78 115.37 14.29 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.721 -0.474 . . . . 74.24 109.721 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -83.19 -46.51 12.63 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.297 0.639 . . . . 72.03 111.378 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -159.87 175.13 13.44 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.433 -0.803 . . . . 73.03 110.562 -173.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.0 t -136.19 118.38 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 N-CA-C 107.023 -1.473 . . . . 74.45 107.023 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . 2.5 mm? -101.12 134.58 43.92 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.268 0.627 . . . . 73.21 111.059 -177.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.31 114.94 3.1 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.857 -0.497 . . . . 63.02 111.857 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.533 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 19.7 p90 -134.43 150.93 50.9 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.185 0.594 . . . . 62.31 109.458 -170.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.523 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 9.3 p-10 -109.98 112.07 23.85 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.32 -0.992 . . . . 75.04 108.32 169.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tt -92.86 86.18 5.4 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 107.853 -1.166 . . . . 74.53 107.853 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.03 -73.74 2.53 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-N 113.547 -1.661 . . . . 74.53 111.455 164.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -117.47 -24.5 7.32 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.642 0.777 . . . . 63.31 111.197 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.9 m -107.17 123.15 47.85 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.349 0.26 . . . . 61.31 110.756 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 47.1 p-80 -94.89 111.31 23.11 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 108.338 -0.986 . . . . 73.23 108.338 174.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -127.16 156.72 41.35 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 123.983 0.913 . . . . 74.35 109.292 -172.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.8 m -117.41 145.43 44.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 107.909 -1.145 . . . . 74.34 107.909 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.533 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 9.3 tp -139.53 118.8 12.78 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.023 -0.732 . . . . 74.34 109.023 -167.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.9 m -83.97 126.4 32.98 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 122.703 0.401 . . . . 73.21 110.463 -172.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.412 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -105.02 127.5 52.89 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.185 0.994 . . . . 74.11 109.823 -178.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.44 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 50.5 m-85 -99.73 174.04 6.41 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.511 0.724 . . . . 73.14 110.522 177.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 37.3 ttm180 -119.84 121.95 40.24 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.176 0.991 . . . . 75.53 108.942 -173.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.42 HG23 ' HB2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -115.6 131.27 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.042 0.937 . . . . 71.43 109.853 176.511 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -85.09 159.71 20.12 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.47 1.108 . . . . 65.22 110.79 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.47 -43.02 1.06 Allowed Glycine 0 N--CA 1.483 1.804 0 CA-C-N 115.426 -0.807 . . . . 70.23 112.45 -168.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' A' ' 112' ' ' SER . 12.5 tp10 -77.28 160.06 29.14 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.299 1.44 . . . . 75.02 107.951 161.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.8 m -116.96 -11.43 10.8 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.289 0.635 . . . . 64.44 109.697 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.408 ' H ' ' HG3' ' A' ' 110' ' ' GLU . 37.8 m -89.62 172.63 8.81 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.065 0.946 . . . . 73.42 110.895 -176.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.411 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 21.0 mt -96.4 130.63 43.49 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 107.719 -1.215 . . . . 75.44 107.719 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.42 ' HB2' HG23 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -93.1 102.2 14.51 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.128 -1.064 . . . . 74.24 108.128 -173.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 104' ' ' ALA . 12.6 t -111.68 94.92 25.5 Favored Pre-proline 0 N--CA 1.469 0.511 0 C-N-CA 123.043 0.537 . . . . 64.34 109.578 -175.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -76.81 115.81 4.12 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.094 1.863 . . . . 74.42 110.002 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -128.05 160.27 32.48 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 121.901 0.858 . . . . 75.11 111.03 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.632 HG22 ' HG2' ' A' ' 170' ' ' PRO . 11.0 p -127.75 163.18 24.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 113.738 -1.573 . . . . 73.44 107.872 172.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 4.4 p30 -161.14 -160.22 0.72 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.551 0.532 . . . . 74.44 109.971 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.89 -35.2 78.07 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.609 0.596 . . . . 75.25 112.609 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.0 p -74.56 -12.78 60.55 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 113.065 0.765 . . . . 65.5 113.065 -171.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 69.9 p -65.7 -40.91 92.77 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 109.538 -0.542 . . . . 71.45 109.538 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -73.06 -24.1 60.64 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 114.49 -1.232 . . . . 74.23 112.261 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -92.01 -20.4 21.37 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.828 -0.434 . . . . 73.35 109.828 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.48 28.13 66.27 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-N 115.932 -0.577 . . . . 62.43 114.525 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -88.3 -20.96 24.72 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.673 0.749 . . . . 74.53 109.697 171.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.3 p -125.45 -177.52 3.92 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.861 1.264 . . . . 75.15 108.71 169.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -57.12 113.41 1.7 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.69 0.796 . . . . 74.13 112.867 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -57.79 -39.08 76.69 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.18 0.992 . . . . 73.32 111.088 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -70.35 -10.58 59.42 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.435 0.694 . . . . 70.24 111.698 -175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.07 174.04 26.44 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 110.47 -1.052 . . . . 71.3 110.47 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.56 157.7 44.44 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.034 -0.728 . . . . 74.33 109.034 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.551 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 91.9 m-85 -92.55 176.13 6.57 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.442 -0.577 . . . . 74.34 109.442 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.3 tt -146.7 132.92 19.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.388 -1.708 . . . . 75.03 106.388 167.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.85 110.42 22.78 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 107.482 -1.303 . . . . 74.11 107.482 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.38 126.68 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.878 0.471 . . . . 72.53 110.21 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -87.61 116.42 66.07 Favored Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 108.373 -0.973 . . . . 71.45 108.373 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -69.72 -28.28 25.63 Favored 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.224 1.949 . . . . 71.12 112.577 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.15 29.49 4.83 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.436 1.094 . . . . 63.22 112.149 -170.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 48.82 57.49 8.56 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.664 -0.698 . . . . 60.23 114.362 -166.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.01 168.92 19.15 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.478 0.311 . . . . 75.41 110.616 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -134.78 177.01 8.13 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.146 0.578 . . . . 74.24 109.652 -173.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.03 104.8 0.64 Allowed Glycine 0 C--N 1.355 1.63 0 C-N-CA 123.757 0.694 . . . . 44.34 113.528 -173.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.14 8.27 50.83 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 113.801 0.28 . . . . 65.13 113.801 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 5' ' ' PRO . 11.6 m-20 -80.98 -170.99 2.97 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.808 -0.812 . . . . 72.52 108.808 166.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -140.46 153.44 46.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.709 0.766 . . . . 74.32 111.919 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 24.4 m -134.56 161.5 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.288 1.435 . . . . 72.55 108.834 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.96 111.84 19.62 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.887 0.475 . . . . 73.41 109.984 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.97 90.46 7.89 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.379 -1.341 . . . . 74.11 107.379 168.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 51.7 t0 -101.33 119.61 39.01 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 114.613 -1.176 . . . . 71.23 109.643 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.529 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 48.5 m-85 -80.05 -16.46 55.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.064 -0.971 . . . . 74.23 112.528 -174.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . 0.43 HD21 HD21 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -80.2 -4.55 53.53 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 119.704 1.138 . . . . 74.33 111.179 173.255 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.43 HD21 HD21 ' A' ' 152' ' ' ASN . 3.8 mm? -92.14 8.95 35.65 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.311 0.644 . . . . 72.32 110.914 165.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.05 127.46 21.55 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 122.936 0.494 . . . . 73.13 110.889 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.551 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 83.6 t80 -99.51 153.53 18.96 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 124.282 1.033 . . . . 74.23 109.665 -170.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -96.61 123.6 53.58 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.835 1.254 . . . . 75.11 111.862 -166.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . 0.533 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 61.5 Cg_endo -75.35 126.55 9.82 Favored 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 122.022 1.814 . . . . 74.51 110.94 166.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -67.85 -22.1 65.15 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.254 0.622 . . . . 75.35 111.752 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 157' ' ' PRO . 25.6 p -57.72 -37.64 73.89 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.089 0.956 . . . . 74.2 111.415 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.29 -10.62 59.55 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.344 0.658 . . . . 74.11 111.643 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -94.04 -12.18 29.12 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.636 0.774 . . . . 65.43 110.26 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 107.15 -25.99 20.29 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 119.876 -0.402 . . . . 72.52 112.459 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -60.73 113.75 5.88 Favored Glycine 0 C--N 1.358 1.781 0 N-CA-C 110.583 -1.007 . . . . 63.15 110.583 172.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.8 m -71.41 89.81 0.94 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.428 0.691 . . . . 62.33 111.49 -167.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -124.59 148.78 47.64 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.124 0.969 . . . . 75.31 111.352 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 36.2 p -73.08 121.51 20.3 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.403 -0.817 . . . . 70.53 109.556 173.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.16 126.39 52.73 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 108.134 -1.061 . . . . 74.1 108.134 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -69.99 97.66 1.18 Allowed 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.852 0.72 . . . . 75.35 109.26 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 92.8 mt -58.64 113.6 7.04 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.05 0.94 . . . . 75.15 109.6 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.632 ' HG2' HG22 ' A' ' 118' ' ' THR . 26.3 Cg_exo -66.39 132.44 29.36 Favored 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 122.627 2.218 . . . . 74.42 112.104 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -67.74 173.78 8.55 Favored 'Trans proline' 0 C--N 1.372 1.811 0 C-N-CA 122.499 2.132 . . . . 75.42 111.867 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -59.77 -28.88 67.79 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.465 0.706 . . . . 61.24 111.694 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.61 -23.15 62.51 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.719 0.808 . . . . 62.33 111.349 177.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.447 ' HA ' HD13 ' A' ' 102' ' ' LEU . 4.5 m-20 -103.86 18.92 20.96 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.828 0.451 . . . . 72.32 111.214 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -100.39 109.14 21.29 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.751 -0.463 . . . . 74.21 109.751 172.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 26.2 t -77.02 131.39 73.07 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.011 0.924 . . . . 74.42 109.442 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -80.67 41.98 1.25 Allowed 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 123.149 2.566 . . . . 74.12 112.894 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -143.54 158.53 43.58 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.636 0.775 . . . . 71.44 110.144 -175.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -86.96 106.45 17.81 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.271 0.628 . . . . 74.32 110.147 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.0 mp -96.43 91.8 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 N-CA-C 108.361 -0.977 . . . . 71.04 108.361 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 55.0 p -96.18 65.34 2.4 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.746 0.784 . . . . 74.32 109.451 171.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.265 0 N-CA-C 108.354 -0.98 . . . . 74.13 108.354 178.646 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 CA--C 1.553 1.064 0 N-CA-C 110.442 -0.207 . . . . 75.32 110.442 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.97 126.59 18.35 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.552 2.168 . . . . 73.53 111.497 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.7 mt -175.15 -53.23 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 125.923 1.689 . . . . 75.03 108.017 -167.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -85.27 27.33 0.61 Allowed 'Trans proline' 0 C--N 1.4 3.274 0 C-N-CA 122.032 1.821 . . . . 64.11 111.956 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.66 -12.56 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.255 1.022 . . . . 62.35 111.896 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -71.79 -37.13 70.48 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 119.176 -0.44 . . . . 73.14 110.89 171.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.2 t0 86.08 154.3 0.08 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.761 1.225 . . . . 75.14 109.27 171.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -48.14 120.73 3.73 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.557 0.743 . . . . 75.01 110.947 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.08 -29.5 30.74 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 115.243 1.572 . . . . 55.31 115.243 -157.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -69.94 -45.12 68.15 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 123.084 0.554 . . . . 74.13 110.017 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -69.26 -36.28 76.96 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.529 -0.759 . . . . 55.33 110.857 176.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -60.23 -46.48 89.64 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.607 1.163 . . . . 72.43 110.371 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -58.96 -41.57 87.82 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.737 -1.119 . . . . 72.14 109.766 175.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.06 97.41 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 118.734 -0.651 . . . . 75.41 112.322 173.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 24.3 mmt180 -59.69 -48.26 82.38 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 118.399 0.545 . . . . 74.01 109.621 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.537 HG23 HD13 ' A' ' 153' ' ' LEU . 72.4 mt -63.85 -45.63 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 115.062 -0.972 . . . . 72.21 111.384 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.42 99.09 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.329 0.652 . . . . 74.31 111.029 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.17 77.46 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.615 0.766 . . . . 70.14 111.463 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -67.01 -41.88 85.91 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.616 0.766 . . . . 74.51 109.97 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -63.17 -47.36 82.97 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 115.257 -0.883 . . . . 75.15 109.954 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.68 79.32 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.572 0.749 . . . . 65.24 111.22 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.99 -59.23 5.75 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.029 0.932 . . . . 72.44 110.869 172.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -64.46 -18.06 64.41 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.293 0.637 . . . . 75.2 112.322 -179.392 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.442 ' HA ' HD23 ' A' ' 49' ' ' LEU . 16.6 t70 -78.39 -53.44 7.27 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.84 1.256 . . . . 75.33 109.708 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.23 -17.44 59.5 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.014 -0.539 . . . . 74.13 111.352 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -48.52 -69.45 0.12 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.329 1.052 . . . . 73.15 111.724 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.492 HD21 HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -59.99 -25.33 65.18 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.265 0.468 . . . . 71.11 112.265 -172.637 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.58 -54.1 6.8 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.118 0.567 . . . . 70.03 111.575 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p -88.64 -56.3 3.36 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.102 0.561 . . . . 71.33 111.393 -171.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -47.42 102.6 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.275 1.43 . . . . 74.51 111.92 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.39 -19.08 63.82 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.286 1.034 . . . . 73.45 112.536 -172.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -81.16 -5.88 58.21 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.499 0.72 . . . . 73.22 111.919 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.6 m -154.55 67.42 5.48 Favored Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 124.663 1.185 . . . . 44.44 108.118 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -85.65 137.66 5.84 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.327 2.018 . . . . 71.41 112.476 -174.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.5 tt -77.93 134.0 64.9 Favored Pre-proline 0 CA--C 1.554 1.107 0 N-CA-C 107.988 -1.116 . . . . 74.54 107.988 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -31.83 132.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.394 2.934 0 C-N-CA 124.853 3.702 . . . . 75.53 114.676 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -52.84 -24.09 22.84 Favored 'Trans proline' 0 C--N 1.384 2.445 0 C-N-CA 123.737 2.958 . . . . 71.25 114.15 -171.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.52 -49.38 66.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.208 0.603 . . . . 63.33 111.222 175.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -78.75 -34.92 45.33 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.649 0.78 . . . . 73.44 110.488 -177.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -57.79 -37.73 74.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.759 0.823 . . . . 74.12 110.846 170.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.01 -37.63 73.76 Favored Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.414 -0.812 . . . . 74.54 111.772 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.81 19.35 4.83 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.017 0.927 . . . . 73.24 112.146 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -73.12 103.54 3.9 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.233 0.54 . . . . 70.41 110.497 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -111.87 4.21 18.14 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.243 1.017 . . . . 60.24 108.951 171.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.86 147.13 12.16 Favored Glycine 0 C--N 1.342 0.882 0 N-CA-C 109.969 -1.252 . . . . 73.44 109.969 -167.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.492 HD22 HD21 ' A' ' 30' ' ' LEU . 2.5 mm? -80.43 169.74 17.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.405 0.682 . . . . 74.1 110.17 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' N ' ' HD2' ' A' ' 50' ' ' ARG . 3.4 mpt_? -91.81 141.89 28.17 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.527 -0.76 . . . . 74.33 109.518 -168.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -162.59 168.77 21.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.441 0.696 . . . . 74.34 110.557 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -102.9 172.32 6.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.273 1.029 . . . . 75.3 109.391 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -74.31 160.65 30.8 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.865 0.466 . . . . 71.44 110.2 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.459 HD12 HG22 ' A' ' 19' ' ' ILE . 11.5 mm -71.48 116.07 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 123.536 0.522 . . . . 75.12 109.846 -174.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -112.17 115.39 28.76 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.274 0.63 . . . . 72.14 109.837 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.72 -17.21 61.64 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.444 0.697 . . . . 63.12 112.363 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.9 m -81.48 -16.73 51.02 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.439 0.296 . . . . 70.42 110.826 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.89 -9.8 59.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.703 0.401 . . . . 71.3 111.278 169.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.45 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 11.8 ttm180 -89.69 95.29 10.19 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.089 -1.078 . . . . 74.24 108.089 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.2 m -100.22 147.17 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.279 -0.637 . . . . 73.55 109.279 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.95 112.95 21.67 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.21 -1.033 . . . . 72.4 108.21 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 91' ' ' LEU . . . -105.93 129.43 54.08 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.138 -0.689 . . . . 63.52 109.138 -173.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.66 110.12 7.7 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 108.511 -0.922 . . . . 74.11 108.511 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.534 ' HH ' ' HB3' ' A' ' 138' ' ' PRO . 35.1 t80 -77.02 129.03 35.56 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 124.244 1.018 . . . . 73.44 109.643 -172.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.434 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 24.6 tt0 -133.03 103.55 12.88 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 123.752 0.821 . . . . 64.2 109.323 172.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.22 161.03 47.51 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.003 1.802 . . . . 74.22 111.782 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.04 113.1 14.39 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.253 -1.017 . . . . 62.33 108.253 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -68.82 -20.49 64.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.466 0.706 . . . . 75.44 110.983 -174.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.5 82.66 12.57 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 107.138 -1.43 . . . . 73.44 107.138 172.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.17 130.39 32.15 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.7 2.267 . . . . 70.31 112.3 -175.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -134.77 157.38 46.89 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.862 0.865 . . . . 74.42 110.725 -170.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.35 114.65 27.25 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.601 0.76 . . . . 64.22 111.231 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 19.6 m -107.07 168.44 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.573 1.149 . . . . 65.45 109.892 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -108.62 129.39 55.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.976 0.51 . . . . 74.34 110.218 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.0 139.73 49.97 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 108.093 -1.077 . . . . 74.41 108.093 171.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -66.37 150.23 49.2 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.538 -0.542 . . . . 72.42 109.538 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.1 p -125.56 153.92 42.97 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.638 -0.505 . . . . 74.44 109.638 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.537 HG23 HD12 ' A' ' 169' ' ' LEU . 22.9 p -74.28 -29.76 61.8 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.841 -0.618 . . . . 74.35 110.291 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -81.81 -24.2 36.05 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.006 0.743 . . . . 72.34 113.006 -172.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.45 -123.45 1.19 Allowed Glycine 0 C--N 1.356 1.642 0 CA-C-O 118.681 -1.066 . . . . 73.53 113.609 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.52 153.42 71.45 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 123.621 2.881 . . . . 63.44 113.428 -174.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.98 140.23 65.17 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.036 1.824 . . . . 65.32 111.886 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.97 129.33 45.27 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.136 0.974 . . . . 64.45 110.203 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 15.3 pt-20 -80.39 125.54 30.04 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 123.693 0.621 . . . . 74.31 110.495 177.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -128.94 142.82 50.81 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.518 -0.919 . . . . 74.44 108.518 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.8 m -85.44 139.63 31.37 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.401 -0.592 . . . . 74.33 109.401 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -75.53 116.69 16.52 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.482 -0.562 . . . . 72.42 109.482 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -86.14 -50.54 6.93 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.639 0.375 . . . . 74.01 110.875 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.53 173.55 16.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.607 0.718 . . . . 71.14 111.61 -173.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.9 t -134.48 119.08 28.48 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 125.305 1.442 . . . . 75.23 107.207 174.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . 3.0 mm? -99.07 118.35 35.62 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.788 0.835 . . . . 73.31 110.58 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.46 116.89 4.87 Favored Glycine 0 N--CA 1.471 0.983 0 N-CA-C 110.656 -0.978 . . . . 70.3 110.656 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.583 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 52.5 p90 -143.24 -175.38 4.51 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 117.61 0.705 . . . . 71.22 110.292 -169.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -139.18 137.71 36.28 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.333 0.587 . . . . 74.34 109.703 171.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.4 tp -139.13 136.41 35.12 Favored 'General case' 0 C--O 1.249 1.038 0 C-N-CA 124.692 1.197 . . . . 75.52 108.054 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.67 -107.69 1.97 Allowed Glycine 0 C--N 1.353 1.506 0 CA-C-O 120.989 0.216 . . . . 72.3 112.953 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -117.73 -5.41 11.11 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.195 0.998 . . . . 71.45 110.251 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.6 m -115.94 132.96 56.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.002 0.521 . . . . 73.42 111.298 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -86.85 124.33 32.96 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 106.845 -1.539 . . . . 74.43 106.845 167.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -138.92 153.6 48.26 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.081 0.467 . . . . 73.44 110.558 -171.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 m -118.07 148.37 42.35 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.184 0.994 . . . . 71.32 109.016 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.583 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 6.2 tp -141.63 131.91 25.01 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.186 -0.672 . . . . 71.51 109.186 -171.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 m -87.81 127.98 35.33 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.469 0.307 . . . . 75.12 110.769 -174.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.4 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -101.9 120.84 41.04 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.541 0.737 . . . . 72.43 109.423 174.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.58 171.95 8.22 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 122.965 0.506 . . . . 74.42 109.857 175.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.527 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 39.6 ttm180 -119.85 131.56 55.32 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.401 1.08 . . . . 71.15 108.91 -175.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.21 113.4 44.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 124.573 1.149 . . . . 74.22 107.979 170.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.19 132.04 52.41 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.185 0.994 . . . . 73.02 111.583 -172.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 88.34 -21.62 24.05 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-N 115.857 -0.61 . . . . 73.41 112.637 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -97.12 129.19 44.55 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.828 0.851 . . . . 73.42 109.202 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.0 t -67.94 -24.57 65.19 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.875 1.27 . . . . 62.21 112.618 -178.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.512 ' HB3' ' HB2' ' A' ' 135' ' ' ASP . 15.2 m -90.49 143.34 26.84 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.529 0.732 . . . . 73.12 111.17 -174.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 21.1 mt -83.81 137.68 33.59 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.167 0.987 . . . . 74.43 108.93 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.56 103.97 15.86 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.605 -0.887 . . . . 72.23 108.605 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 104' ' ' ALA . 24.2 t -108.8 100.37 39.02 Favored Pre-proline 0 C--O 1.244 0.788 0 C-N-CA 124.029 0.932 . . . . 74.34 108.566 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 90.2 Cg_endo -86.96 135.01 3.81 Favored 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 122.576 2.184 . . . . 72.4 110.814 169.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -151.02 167.98 26.0 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.381 0.61 . . . . 73.22 111.416 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.8 p -137.36 171.17 14.87 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 114.414 -1.266 . . . . 75.22 107.822 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -160.53 -168.35 2.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.811 0.844 . . . . 75.21 109.985 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -67.34 -33.98 76.38 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 119.636 -0.221 . . . . 74.43 111.583 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.5 m -71.52 -37.43 71.2 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.16 0.584 . . . . 71.13 111.19 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.486 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 27.6 p -73.98 -42.1 60.95 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.143 177.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.93 -26.84 67.78 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.654 0.782 . . . . 74.2 111.303 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -75.65 -4.99 43.26 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.174 0.99 . . . . 73.42 111.183 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.4 -26.72 6.13 Favored Glycine 0 C--N 1.35 1.338 0 N-CA-C 114.705 0.642 . . . . 74.42 114.705 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -68.3 -18.93 64.64 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 112.901 0.704 . . . . 73.42 112.901 -171.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.9 p -125.95 171.68 10.55 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.419 0.687 . . . . 75.11 109.252 164.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -69.64 99.54 1.32 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.815 0.846 . . . . 73.41 112.574 -162.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.486 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 10.1 pt-20 -58.93 -30.27 67.74 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.842 1.657 . . . . 74.41 113.27 -176.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -70.0 -16.87 63.24 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.369 0.668 . . . . 74.34 111.706 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 139.55 157.42 7.28 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-O 121.194 0.33 . . . . 74.11 113.022 170.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.444 HH21 ' HB2' ' A' ' 154' ' ' ALA . 20.2 mtp180 -115.06 143.22 45.53 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.259 1.424 . . . . 73.02 108.04 174.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -94.4 151.33 19.47 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.715 -0.476 . . . . 73.4 109.715 169.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.2 tt -148.65 125.2 11.03 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 106.665 -1.606 . . . . 73.14 106.665 170.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.512 ' HB2' ' HB3' ' A' ' 112' ' ' SER . 4.7 p-10 -96.66 131.38 43.38 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.25 -1.019 . . . . 70.53 108.25 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.55 122.99 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 108.871 -0.789 . . . . 73.0 108.871 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.89 122.73 78.2 Favored Pre-proline 0 C--O 1.241 0.606 0 N-CA-C 106.915 -1.513 . . . . 73.35 106.915 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.534 ' HB3' ' HH ' ' A' ' 64' ' ' TYR . 36.2 Cg_endo -62.34 -25.26 76.32 Favored 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 122.554 2.17 . . . . 75.53 113.364 -174.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 53.13 33.04 14.23 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 124.358 1.036 . . . . 75.15 112.3 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 54.43 34.96 55.32 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 115.397 -0.819 . . . . 63.33 114.548 -173.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -74.3 158.75 33.46 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.045 0.45 . . . . 73.12 111.179 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -127.4 169.6 13.43 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.821 0.848 . . . . 73.22 108.859 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 65' ' ' GLN . . . -62.56 111.37 3.98 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 123.637 0.586 . . . . 64.35 111.766 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.46 -11.97 28.23 Favored Glycine 0 N--CA 1.471 1.017 0 CA-C-O 119.697 -0.502 . . . . 72.03 113.757 -176.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.2 -173.98 4.28 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 108.819 -0.808 . . . . 64.13 108.819 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -146.25 156.24 43.24 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.543 0.687 . . . . 60.52 111.477 174.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 28.6 m -134.08 166.6 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 114.7 -1.137 . . . . 73.12 109.748 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.41 110.87 20.01 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.931 0.493 . . . . 74.04 110.844 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.32 86.93 3.29 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 108.361 -0.977 . . . . 61.22 108.361 170.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 27.7 t70 -90.13 106.82 18.74 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.796 -0.816 . . . . 63.54 108.796 172.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.544 ' HB3' HG22 ' A' ' 180' ' ' ILE . 39.5 m-85 -73.32 -14.61 61.33 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.818 -1.083 . . . . 75.32 111.283 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.32 -21.41 61.99 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 123.333 0.653 . . . . 73.24 111.588 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.537 HD13 HG23 ' A' ' 19' ' ' ILE . 3.2 mm? -72.18 -26.75 62.19 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 118.84 -0.6 . . . . 75.12 111.533 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.444 ' HB2' HH21 ' A' ' 132' ' ' ARG . . . -45.61 118.31 1.74 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.46 1.104 . . . . 75.12 113.609 -164.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -100.93 165.81 11.15 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 125.239 1.415 . . . . 73.14 109.938 -170.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -102.69 126.36 33.05 Favored Pre-proline 0 CA--C 1.551 0.999 0 CA-C-N 114.499 -1.228 . . . . 71.12 108.536 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.38 142.65 68.81 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.818 2.345 . . . . 71.12 112.681 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.466 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 68.4 m-85 -74.35 -3.93 33.3 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 113.558 0.947 . . . . 75.05 113.558 -172.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 49.3 t -68.02 -26.25 65.79 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.403 0.681 . . . . 74.55 111.007 167.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -81.76 -18.86 42.73 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.892 0.477 . . . . 74.22 112.029 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 33.1 m-85 -85.88 -11.09 54.15 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.027 0.531 . . . . 74.25 111.521 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.12 -17.87 0.05 OUTLIER Glycine 0 C--N 1.35 1.338 0 N-CA-C 114.758 0.663 . . . . 73.45 114.758 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 96.55 42.91 3.29 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 111.13 -0.788 . . . . 71.01 111.13 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 51.1 m -133.23 68.88 1.49 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.479 0.712 . . . . 71.32 109.563 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.23 152.69 0.11 Allowed 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 125.504 1.522 . . . . 73.52 109.003 176.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 39.5 m -114.77 96.26 5.64 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 107.708 -1.219 . . . . 74.31 107.708 172.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 15.8 p -89.69 141.47 28.58 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.904 -0.406 . . . . 71.52 109.904 -164.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -80.07 93.25 5.74 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.531 0.732 . . . . 72.4 109.642 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.537 HD12 HG23 ' A' ' 78' ' ' THR . 8.2 mp -60.29 125.58 82.04 Favored Pre-proline 0 N--CA 1.475 0.804 0 N-CA-C 108.874 -0.787 . . . . 64.11 108.874 175.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -65.86 150.89 85.48 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.214 1.943 . . . . 74.34 111.805 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -63.35 161.42 30.99 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.072 1.848 . . . . 74.21 111.196 170.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -52.08 -31.56 30.94 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.033 0.933 . . . . 73.53 112.725 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -69.21 -21.49 63.94 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.065 0.946 . . . . 74.44 112.549 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.18 28.87 1.77 Allowed 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.156 0.503 . . . . 75.2 111.209 -175.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -93.16 110.81 22.32 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.774 0.83 . . . . 74.11 108.974 168.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.6 127.52 84.14 Favored Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 108.279 -1.008 . . . . 75.12 108.279 173.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -78.61 46.0 2.03 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 123.099 2.533 . . . . 63.21 112.476 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -143.16 155.0 44.46 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 124.239 1.015 . . . . 73.24 109.247 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.99 110.54 21.51 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.317 0.647 . . . . 73.43 109.946 175.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . 0.544 HG22 ' HB3' ' A' ' 151' ' ' PHE . 3.5 mp -106.8 85.2 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 106.324 -1.732 . . . . 71.33 106.324 177.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.94 83.04 8.19 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.392 -0.822 . . . . 71.01 110.321 -174.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.729 0 C-N-CA 124.01 0.924 . . . . 64.14 108.989 175.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.4 tt . . . . . 0 CA--C 1.568 1.672 0 N-CA-C 110.269 -0.271 . . . . 73.31 110.269 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.56 127.98 9.21 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.599 2.199 . . . . 74.33 110.293 170.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mt -176.36 -51.09 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 125.99 1.716 . . . . 74.51 108.07 -170.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -80.83 22.53 0.78 Allowed 'Trans proline' 0 C--N 1.399 3.218 0 C-N-CA 122.206 1.937 . . . . 74.22 112.461 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.89 -28.43 44.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 C-N-CA 124.573 1.149 . . . . 65.31 111.32 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -79.2 91.58 4.99 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.576 0.75 . . . . 64.33 110.24 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -29.67 140.91 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.606 1.562 . . . . 71.44 113.924 168.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.0 t -49.76 138.37 14.71 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 123.743 0.652 . . . . 74.33 109.961 170.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -42.05 -37.86 1.5 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 125.019 1.328 . . . . 62.23 114.023 -169.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.66 -55.54 25.98 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.608 0.763 . . . . 74.43 110.499 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -67.33 -28.37 67.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.899 0.879 . . . . 74.43 111.496 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.506 ' O ' HG13 ' A' ' 19' ' ' ILE . 34.9 t90 -69.55 -50.66 42.67 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.182 0.993 . . . . 72.32 109.765 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HG2' HG21 ' A' ' 54' ' ' ILE . 56.6 mtt180 -69.84 -28.1 65.4 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.069 -0.514 . . . . 74.34 110.84 177.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.23 96.4 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 118.898 -0.573 . . . . 64.22 111.077 168.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 29.2 mmt180 -58.15 -52.33 66.01 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 109.589 -0.522 . . . . 73.35 109.589 174.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.517 HG12 ' HG ' ' A' ' 153' ' ' LEU . 13.1 mt -57.35 -53.99 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 124.329 1.018 . . . . 63.42 111.266 -176.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.79 86.97 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 124.359 1.037 . . . . 61.11 111.726 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.89 -34.12 68.9 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.039 0.535 . . . . 63.14 111.935 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -74.19 -33.68 63.5 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.309 0.644 . . . . 64.31 110.199 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -69.11 -45.42 70.26 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 123.541 0.736 . . . . 75.15 109.116 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.2 96.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.663 0.785 . . . . 73.31 110.568 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.66 -60.23 3.73 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.735 -1.121 . . . . 73.52 110.37 173.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 41.3 mmtm -70.15 -12.92 61.94 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.359 0.664 . . . . 72.23 112.645 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HA ' HD22 ' A' ' 49' ' ' LEU . 26.3 t70 -71.4 -53.22 14.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.246 0.618 . . . . 75.44 110.381 170.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -82.89 -14.06 54.92 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.398 -0.364 . . . . 75.53 111.908 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -56.15 -59.82 4.38 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.411 1.085 . . . . 74.42 112.225 -175.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.531 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -76.35 -9.59 58.76 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.332 0.494 . . . . 74.33 112.332 -175.557 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.29 -48.94 6.2 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.43 0.692 . . . . 74.13 111.39 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.9 p -113.44 -55.5 2.51 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.61 0.764 . . . . 72.41 110.965 -169.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.42 ' HB3' ' NE2' ' A' ' 35' ' ' GLN . 29.0 m-70 -57.87 123.62 16.39 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 115.188 -0.915 . . . . 74.41 111.367 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.98 -8.57 38.37 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.683 1.193 . . . . 64.21 113.738 -172.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 33' ' ' HIS . 2.4 mp0 -67.68 -28.85 68.04 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.174 0.99 . . . . 72.14 112.299 -169.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 66.1 m -154.26 136.38 9.49 Favored Pre-proline 0 N--CA 1.48 1.026 0 N-CA-C 107.89 -1.152 . . . . 73.12 107.89 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -91.31 159.49 3.73 Favored 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 122.519 2.146 . . . . 73.55 112.28 173.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.531 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 15.4 tt -106.88 144.11 28.43 Favored Pre-proline 0 CA--C 1.554 1.115 0 N-CA-C 106.902 -1.518 . . . . 72.41 106.902 165.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -54.28 142.67 67.64 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 121.977 1.785 . . . . 75.24 112.319 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.38 -26.02 81.72 Favored 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 123.302 2.668 . . . . 75.22 113.443 -171.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.41 90.4 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.517 0.727 . . . . 74.22 110.872 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.81 -30.45 51.22 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.609 0.764 . . . . 73.45 110.475 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.427 ' HB2' HG21 ' A' ' 38' ' ' ILE . 65.2 ttt180 -68.39 -32.52 72.65 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.292 0.637 . . . . 75.3 111.33 175.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.04 -44.47 45.33 Favored Glycine 0 C--N 1.348 1.216 0 N-CA-C 111.43 -0.668 . . . . 71.32 111.43 173.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.43 28.7 1.07 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.001 0.921 . . . . 62.54 111.735 175.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -77.32 101.13 6.16 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.148 0.499 . . . . 71.41 110.305 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -92.65 -50.18 5.73 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.648 -0.871 . . . . 75.22 108.648 168.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 174.12 178.65 44.2 Favored Glycine 0 C--O 1.244 0.767 0 CA-C-N 114.479 -1.237 . . . . 63.32 112.186 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' ' 27' ' ' ASP . 4.4 mm? -99.36 158.82 15.45 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.094 0.558 . . . . 75.22 111.156 177.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -98.23 121.02 39.65 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.148 -0.933 . . . . 74.13 110.958 -166.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -126.9 146.3 50.35 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.726 -1.213 . . . . 75.11 107.726 168.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -101.15 175.03 5.73 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.535 0.734 . . . . 71.45 110.043 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.52 134.63 56.66 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.812 0.695 . . . . 75.13 110.791 -170.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.437 HG21 ' HG2' ' A' ' 16' ' ' ARG . 38.2 mm -67.58 133.81 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 C-N-CA 124.24 1.016 . . . . 74.41 110.905 -172.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -150.81 118.96 6.3 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.746 0.308 . . . . 74.01 111.204 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.89 -11.72 59.79 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.268 1.027 . . . . 70.42 113.169 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.0 m -79.01 -25.74 43.28 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 110.253 -0.277 . . . . 72.22 110.253 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -75.62 2.71 11.14 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.296 0.638 . . . . 72.53 112.464 172.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 32.9 ttm180 -91.37 108.17 19.7 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.134 -1.061 . . . . 53.1 108.134 171.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.5 m -100.37 145.5 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 108.775 -0.824 . . . . 74.03 108.775 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.4 123.54 33.05 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.704 -1.221 . . . . 74.24 107.704 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.84 137.56 51.48 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.668 -0.493 . . . . 73.21 109.668 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.01 115.14 13.13 Favored 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.118 0.886 . . . . 74.3 108.811 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.485 ' HA ' HD11 ' A' ' 91' ' ' LEU . 35.6 t80 -81.91 113.65 19.98 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 123.962 0.905 . . . . 73.44 109.39 -176.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -113.96 104.59 54.94 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 107.94 -1.133 . . . . 63.23 107.94 170.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.5 151.5 79.8 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.141 1.894 . . . . 65.12 111.255 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.73 100.54 2.87 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.39 -1.337 . . . . 72.33 107.39 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -56.56 -20.03 18.71 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.041 0.936 . . . . 72.3 111.93 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -141.75 93.39 7.62 Favored Pre-proline 0 CA--C 1.551 0.995 0 N-CA-C 107.367 -1.345 . . . . 73.31 107.367 168.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.86 127.61 19.02 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.752 2.302 . . . . 75.55 111.922 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -132.39 153.81 50.42 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.262 0.625 . . . . 74.4 109.804 -173.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.99 135.17 36.83 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.598 0.759 . . . . 64.31 110.38 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.1 m -132.88 164.23 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.034 1.334 . . . . 74.35 108.756 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -108.38 130.18 55.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.254 0.622 . . . . 61.23 109.483 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -116.29 122.69 45.7 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.286 -1.375 . . . . 73.44 107.286 167.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' HB2' HD13 ' A' ' 169' ' ' LEU . 46.1 mt-10 -64.58 156.81 28.73 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.783 0.433 . . . . 64.31 110.315 -176.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.0 p -119.68 151.78 38.19 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.42 0.555 . . . . 53.21 109.545 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.3 p -66.34 -25.99 67.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.39 0.676 . . . . 75.25 110.925 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -90.72 -7.89 51.32 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.555 0.742 . . . . 75.53 111.436 -175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.38 -119.02 1.71 Allowed Glycine 0 C--N 1.353 1.504 0 CA-C-O 118.754 -1.025 . . . . 73.24 113.08 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -51.26 133.91 43.13 Favored 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 125.001 3.801 . . . . 73.41 113.78 -171.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -63.72 141.45 79.09 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 123.029 2.486 . . . . 73.14 113.601 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.18 117.17 24.83 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.854 1.262 . . . . 75.51 108.907 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.91 125.51 32.71 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.336 0.654 . . . . 73.35 110.594 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.513 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 70.0 m-85 -133.56 150.67 51.64 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.623 0.769 . . . . 73.25 109.392 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.3 m -89.37 130.64 35.71 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.561 -0.903 . . . . 71.42 108.561 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -74.95 115.92 15.1 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.751 0.705 . . . . 75.0 109.134 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' ' 106' ' ' ARG . . . -97.81 -35.9 10.37 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.927 0.891 . . . . 73.4 111.764 -176.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.18 170.02 21.56 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.98 0.512 . . . . 74.53 110.465 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.481 HG13 HG22 ' A' ' 101' ' ' THR . 7.6 t -136.79 112.07 11.1 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 N-CA-C 107.205 -1.406 . . . . 73.4 107.205 175.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 64' ' ' TYR . 3.5 mm? -93.4 127.57 39.07 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.076 0.95 . . . . 75.11 110.388 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -118.62 127.5 7.29 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-O 119.617 -0.546 . . . . 74.22 111.873 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -152.24 170.77 19.21 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 117.591 0.696 . . . . 74.43 110.268 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.537 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 6.0 p-10 -116.78 144.39 44.53 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.096 -0.705 . . . . 74.13 109.096 170.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.51 133.53 42.3 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 106.922 -1.51 . . . . 74.5 106.922 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.91 -104.77 0.71 Allowed Glycine 0 C--N 1.355 1.585 0 CA-C-O 121.008 0.227 . . . . 74.23 113.215 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -114.8 -7.04 12.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.612 0.765 . . . . 53.41 111.607 -175.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -137.21 155.46 49.49 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.692 0.758 . . . . 72.51 112.409 -173.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 6.3 p80 -105.13 138.11 41.84 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.884 -1.053 . . . . 74.14 110.406 -177.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -139.57 153.57 47.43 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.115 0.966 . . . . 74.05 109.782 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.481 HG22 HG13 ' A' ' 90' ' ' VAL . 10.4 m -128.3 116.12 19.34 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 114.995 -1.002 . . . . 74.32 108.668 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 mp -103.18 141.0 36.62 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.942 1.297 . . . . 75.34 109.433 -173.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 15.0 m -91.41 130.73 37.21 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 110.042 -0.355 . . . . 63.43 110.042 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.03 129.67 48.39 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.535 1.134 . . . . 75.43 109.513 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.513 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 65.7 m-85 -107.82 145.55 33.46 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.569 0.748 . . . . 73.52 110.921 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.573 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 52.1 ttt180 -91.51 121.05 32.86 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 125.378 1.471 . . . . 64.21 108.281 173.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.621 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 17.0 t -95.01 127.2 47.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 108.288 -1.005 . . . . 71.13 108.288 175.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -53.39 115.3 1.85 Allowed 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 124.36 1.064 . . . . 74.42 112.428 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 88.44 -7.27 82.19 Favored Glycine 0 N--CA 1.473 1.112 0 CA-C-N 115.774 -0.648 . . . . 70.43 113.511 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.621 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 13.7 tp10 -103.59 129.7 50.89 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.833 0.853 . . . . 74.41 109.729 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.6 m -70.9 -27.84 64.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.328 1.051 . . . . 60.14 112.569 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.7 m -90.42 141.86 28.31 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.385 0.674 . . . . 64.15 110.561 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.2 mt -81.21 144.84 31.31 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.095 0.958 . . . . 73.21 109.293 175.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -100.44 109.31 21.45 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.644 -1.243 . . . . 74.01 107.644 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.0 90.93 5.8 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 107.543 -1.28 . . . . 73.31 107.543 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 61.4 Cg_endo -72.81 132.6 18.77 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 121.972 1.781 . . . . 72.05 110.105 176.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -152.58 167.52 28.58 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.447 0.641 . . . . 73.43 111.666 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.422 HG21 ' HG3' ' A' ' 170' ' ' PRO . 15.1 p -134.27 149.41 50.92 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.01 -1.45 . . . . 64.34 109.553 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -112.56 -176.6 2.95 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.131 -1.063 . . . . 73.44 108.131 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 179' ' ' ALA . 28.2 mm-40 -63.37 -17.58 62.77 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 122.255 0.222 . . . . 74.33 111.048 167.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 76.8 p -54.94 -27.33 42.7 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.951 1.301 . . . . 75.14 112.408 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 71.4 p -70.69 -49.82 43.04 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.794 0.838 . . . . 73.1 110.642 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.59 -31.16 71.93 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.354 1.061 . . . . 73.45 110.886 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.38 -33.08 74.77 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.685 1.194 . . . . 64.04 111.842 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.07 -43.86 1.72 Allowed Glycine 0 C--N 1.349 1.258 0 CA-C-O 119.216 -0.769 . . . . 71.11 114.761 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -54.98 -45.97 75.07 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 124.112 0.965 . . . . 75.2 112.991 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.479 HG21 ' H ' ' A' ' 128' ' ' TYR . 1.3 m -89.23 -174.95 4.61 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 114.926 -1.034 . . . . 70.5 109.264 -174.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.479 ' H ' HG21 ' A' ' 127' ' ' THR . 26.3 p90 -46.77 143.84 2.63 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.332 1.053 . . . . 74.54 111.998 172.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -86.53 -51.13 6.36 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.93 0.492 . . . . 75.15 109.673 167.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.565 ' HE2' ' HG2' ' A' ' 157' ' ' PRO . 10.4 p-80 -70.12 -24.36 63.18 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.212 0.819 . . . . 72.3 113.212 -164.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.27 -177.02 16.88 Favored Glycine 0 C--N 1.34 0.781 0 CA-C-O 121.751 0.639 . . . . 42.24 113.446 -175.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 30.6 ptt180 -142.1 -176.29 4.75 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.143 -1.428 . . . . 75.52 107.143 172.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.431 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 94.4 m-85 -113.52 173.44 6.41 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 123.447 0.699 . . . . 75.4 110.512 173.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.442 HD21 HG23 ' A' ' 136' ' ' VAL . 1.6 tt -132.83 119.76 20.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.222 -2.14 . . . . 71.53 105.222 164.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -90.88 99.74 12.72 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.322 -1.362 . . . . 74.34 107.322 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.442 HG23 HD21 ' A' ' 134' ' ' LEU . 57.2 t -100.54 124.35 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 114.69 -1.141 . . . . 65.31 109.291 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -85.58 107.49 12.65 Favored Pre-proline 0 C--O 1.241 0.61 0 N-CA-C 105.975 -1.861 . . . . 74.42 105.975 171.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.22 -23.53 66.21 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.338 2.026 . . . . 72.4 112.346 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 52.18 36.17 18.56 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 124.405 1.082 . . . . 72.34 111.894 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 50.73 50.13 38.36 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.71 0.631 . . . . 74.51 114.378 -171.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -71.97 168.4 18.1 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.437 0.695 . . . . 71.21 112.041 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -143.96 170.05 16.66 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.972 0.509 . . . . 74.11 110.29 -174.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.8 115.26 6.59 Favored Glycine 0 C--N 1.354 1.535 0 C-N-CA 123.727 0.679 . . . . 74.24 113.639 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.69 -1.71 60.06 Favored Glycine 0 N--CA 1.467 0.766 0 O-C-N 123.818 0.363 . . . . 52.54 112.856 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -82.63 -172.75 4.24 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.47 -0.937 . . . . 74.42 108.47 169.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -144.03 155.01 43.84 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.176 0.512 . . . . 72.51 111.508 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 35.5 m -134.98 161.4 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.054 0.942 . . . . 74.15 109.764 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.23 108.32 14.77 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.479 0.712 . . . . 74.22 110.981 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.74 91.94 6.32 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 108.208 -1.034 . . . . 74.04 108.208 170.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.538 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 9.1 t0 -97.35 110.49 23.03 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.688 -0.687 . . . . 71.31 109.395 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.4 ' HB3' HG21 ' A' ' 180' ' ' ILE . 17.4 m-85 -80.19 -18.33 49.93 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.488 0.715 . . . . 75.34 111.675 -177.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . 0.518 ' HA ' ' HB3' ' A' ' 182' ' ' ALA . 28.5 t-20 -74.33 -36.01 63.65 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.435 -0.58 . . . . 72.04 109.435 173.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.517 ' HG ' HG12 ' A' ' 19' ' ' ILE . 8.7 mp -95.74 10.94 35.25 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 114.994 -1.003 . . . . 75.03 111.619 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -53.73 150.73 6.94 Favored 'General case' 0 C--O 1.243 0.715 0 O-C-N 124.017 0.823 . . . . 74.11 111.195 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.602 ' HE1' ' HE2' ' A' ' 26' ' ' LYS . 67.7 t80 -95.39 137.02 35.02 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 108.004 -1.11 . . . . 73.41 108.004 -172.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . 0.463 ' HA ' ' HD3' ' A' ' 157' ' ' PRO . 45.3 m-80 -118.24 131.11 24.35 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 122.556 0.342 . . . . 74.52 111.245 -167.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . 0.565 ' HG2' ' HE2' ' A' ' 130' ' ' HIS . 10.7 Cg_exo -73.79 163.55 36.86 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 123.564 2.843 . . . . 73.23 112.596 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -86.15 -4.16 59.11 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.618 0.767 . . . . 73.43 112.723 -171.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . 0.43 ' HB2' ' HE1' ' A' ' 130' ' ' HIS . 15.5 m -62.0 -34.45 76.21 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.748 1.018 . . . . 73.53 113.748 -171.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -78.72 10.3 3.4 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 112.938 0.718 . . . . 65.51 112.938 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -90.67 8.05 36.36 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 109.666 -0.494 . . . . 72.43 109.666 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.81 -40.08 2.54 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 111.281 -0.728 . . . . 63.25 111.281 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -66.15 148.64 51.02 Favored Glycine 0 C--N 1.349 1.268 0 N-CA-C 111.931 -0.468 . . . . 62.35 111.931 169.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 13.1 m -100.74 92.71 5.21 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.057 -1.09 . . . . 75.23 108.057 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -97.8 155.34 17.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.114 0.566 . . . . 75.41 110.563 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 33.2 p -76.97 132.1 38.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.224 0.61 . . . . 74.21 109.974 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 10.4 p -144.34 126.35 15.46 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.604 0.762 . . . . 73.02 109.375 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -68.87 113.02 5.92 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.802 0.841 . . . . 73.33 110.299 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' A' ' 76' ' ' GLU . 97.4 mt -62.71 141.54 97.08 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.45 1.1 . . . . 75.3 110.868 178.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.422 ' HG3' HG21 ' A' ' 118' ' ' THR . 37.0 Cg_endo -64.81 148.47 90.03 Favored 'Trans proline' 0 C--N 1.368 1.573 0 C-N-CA 122.678 2.252 . . . . 75.11 112.447 175.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.77 148.41 22.16 Favored 'Trans proline' 0 C--N 1.371 1.747 0 C-N-CA 122.652 2.235 . . . . 73.24 111.912 162.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -43.05 -35.21 1.2 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.382 1.623 . . . . 74.33 115.382 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -92.99 -2.11 56.06 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.305 0.574 . . . . 70.33 111.884 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -85.66 16.84 3.64 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 121.795 0.807 . . . . 73.03 110.633 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -93.74 114.41 26.69 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.03 -1.1 . . . . 74.31 108.03 167.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 33.8 m -81.47 143.12 50.93 Favored Pre-proline 0 CA--C 1.553 1.062 0 N-CA-C 109.054 -0.721 . . . . 75.35 109.054 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -87.53 38.83 0.53 Allowed 'Trans proline' 0 C--N 1.372 1.775 0 C-N-CA 123.091 2.527 . . . . 74.35 112.112 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -150.52 147.36 27.38 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 124.518 1.127 . . . . 64.44 108.722 -172.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 120' ' ' GLU . . . -90.94 124.18 35.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.762 -0.829 . . . . 74.4 108.762 175.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . 0.4 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -113.58 92.15 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 107.435 -1.32 . . . . 62.52 107.435 178.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 22.7 p -84.9 80.55 9.24 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 122.028 0.918 . . . . 72.02 108.655 173.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.518 ' HB3' ' HA ' ' A' ' 152' ' ' ASN . . . . . . . . 0 N--CA 1.474 0.749 0 CA-C-N 113.588 -1.642 . . . . 72.23 107.821 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.67 -0.493 . . . . 74.34 109.67 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.6 127.7 22.47 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 121.88 1.72 . . . . 71.42 110.757 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mt -177.46 -51.65 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.112 0 C-N-CA 125.932 1.693 . . . . 65.23 107.997 -171.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -83.19 33.84 0.53 Allowed 'Trans proline' 0 C--N 1.403 3.403 0 C-N-CA 122.043 1.828 . . . . 75.12 111.814 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' A' ' 137' ' ' ASP . 33.4 m -61.48 -29.96 47.11 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 C-N-CA 123.902 0.881 . . . . 73.45 110.538 171.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 t -91.48 39.41 1.0 Allowed 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.303 1.041 . . . . 71.43 110.167 173.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 48.73 -158.88 0.06 Allowed 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.06 1.133 . . . . 71.33 114.06 -173.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -112.76 155.43 24.59 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.768 -1.567 . . . . 73.1 106.768 168.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -38.31 -47.46 1.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.875 1.806 . . . . 72.42 115.875 -165.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.11 -52.0 27.13 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.876 0.37 . . . . 71.53 110.925 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -63.76 -28.3 69.78 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.418 -0.81 . . . . 73.21 111.886 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.481 ' O ' HG13 ' A' ' 19' ' ' ILE . 19.8 t90 -72.22 -48.39 43.27 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.796 1.239 . . . . 75.14 109.991 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -63.08 -35.7 81.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.74 0.416 . . . . 72.33 110.567 174.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.15 93.31 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.703 0.401 . . . . 75.31 111.586 170.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 29.9 mmt180 -59.42 -51.04 71.59 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 123.479 0.487 . . . . 74.3 110.459 176.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 15' ' ' TRP . 10.3 mt -61.37 -55.34 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 123.781 0.676 . . . . 74.23 110.132 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.97 -56.17 17.99 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.017 0.927 . . . . 73.34 111.587 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -52.98 58.36 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.557 0.536 . . . . 70.43 111.711 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -72.25 -34.05 67.96 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.3 0.64 . . . . 74.42 111.637 -171.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -85.91 -28.71 24.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.668 0.387 . . . . 73.3 110.846 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.04 68.94 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 120.891 0.377 . . . . 73.3 109.993 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.26 -45.25 94.12 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 115.509 -0.769 . . . . 73.35 109.642 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -66.05 -36.36 83.03 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.548 -0.751 . . . . 72.41 110.112 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.24 -44.85 94.04 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.081 0.953 . . . . 74.41 111.279 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.42 -22.34 38.29 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 119.32 -0.371 . . . . 73.42 111.212 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -51.03 -56.22 13.6 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.133 0.973 . . . . 73.22 112.848 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.67 -16.53 61.21 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.384 0.512 . . . . 75.24 112.384 -176.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.77 -40.97 15.49 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.952 0.501 . . . . 73.13 111.038 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.5 p -100.89 -56.71 2.26 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 123.224 0.61 . . . . 75.23 111.395 -174.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -66.81 143.9 56.62 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.319 0.581 . . . . 71.54 112.195 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -87.33 -9.36 55.09 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.724 -1.126 . . . . 70.45 111.045 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -62.31 -38.58 89.96 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.05 0.94 . . . . 73.13 112.123 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -154.82 71.89 5.89 Favored Pre-proline 0 N--CA 1.477 0.907 0 N-CA-C 107.61 -1.256 . . . . 72.4 107.61 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -86.27 165.08 9.71 Favored 'Trans proline' 0 C--N 1.368 1.592 0 C-N-CA 122.339 2.026 . . . . 72.53 112.713 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.9 mt -78.69 134.91 60.52 Favored Pre-proline 0 CA--C 1.549 0.917 0 N-CA-C 106.815 -1.55 . . . . 75.14 106.815 167.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -39.9 134.24 1.71 Allowed 'Trans proline' 0 C--N 1.387 2.602 0 C-N-CA 123.686 2.924 . . . . 75.24 113.169 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -45.07 -44.7 15.03 Favored 'Trans proline' 0 C--N 1.387 2.56 0 C-N-CA 124.37 3.38 . . . . 72.23 115.362 -164.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.48 -43.36 73.36 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.84 0.456 . . . . 75.23 111.041 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.13 -29.5 64.12 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.053 0.941 . . . . 75.23 111.146 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -68.34 -25.5 65.13 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.751 0.821 . . . . 72.13 111.108 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.81 -35.11 84.48 Favored Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.765 -0.652 . . . . 74.14 111.755 172.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.3 10.09 11.4 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.779 0.832 . . . . 73.24 112.815 176.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -78.53 112.1 15.24 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.959 0.409 . . . . 73.11 110.195 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.05 -34.3 10.13 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.726 0.81 . . . . 64.43 110.184 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.99 147.65 5.11 Favored Glycine 0 C--N 1.342 0.867 0 N-CA-C 110.369 -1.092 . . . . 52.1 110.369 -172.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 30' ' ' LEU . 65.8 mt -73.24 163.05 28.67 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.747 0.784 . . . . 65.2 111.91 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -88.72 117.92 28.04 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.494 -1.669 . . . . 73.32 106.494 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -127.44 150.39 49.67 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 122.837 0.455 . . . . 73.53 109.775 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -87.05 153.69 21.34 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 107.986 -1.116 . . . . 63.34 107.986 165.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -74.09 162.79 28.63 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 108.458 -0.942 . . . . 53.04 108.458 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.556 HG21 HD22 ' A' ' 152' ' ' ASN . 23.9 mm -63.56 112.89 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.199 0.599 . . . . 74.33 110.02 -170.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -103.88 126.81 51.27 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.009 0.523 . . . . 73.41 111.29 -170.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.483 ' HA ' ' NH2' ' A' ' 59' ' ' ARG . . . -81.62 -32.86 31.76 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.994 0.917 . . . . 73.14 111.99 174.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.8 t -63.98 -32.28 73.76 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.189 0.996 . . . . 73.43 113.222 -166.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.429 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 64.3 m-85 -99.2 27.06 5.37 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.795 0.838 . . . . 74.25 112.075 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.483 ' NH2' ' HA ' ' A' ' 56' ' ' ALA . 30.0 ttm180 -97.75 93.71 6.53 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.855 -0.794 . . . . 74.22 108.855 171.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.3 m -100.24 166.62 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 109.501 -0.555 . . . . 74.55 109.501 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.03 122.46 45.25 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.464 -0.939 . . . . 73.11 108.464 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.7 138.65 47.99 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.449 0.7 . . . . 53.25 109.544 -172.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -74.54 125.76 29.32 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.555 -0.906 . . . . 74.15 108.555 175.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -89.89 126.78 35.84 Favored 'General case' 0 C--O 1.247 0.95 0 C-N-CA 124.294 1.038 . . . . 72.42 109.278 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -133.38 106.54 12.11 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.04 0.936 . . . . 75.14 109.003 172.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 74.1 Cg_endo -71.42 158.13 54.87 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.249 1.966 . . . . 72.45 111.229 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.64 103.56 12.24 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.095 -0.706 . . . . 63.21 109.095 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -67.77 -22.23 65.21 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.416 0.687 . . . . 72.44 110.51 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -121.27 82.7 38.66 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 124.518 1.127 . . . . 74.43 108.137 169.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.56 123.64 8.26 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 122.32 2.013 . . . . 70.2 112.207 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -125.12 154.43 41.46 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.714 0.806 . . . . 65.44 109.694 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' ' 84' ' ' GLU . . . -85.46 128.25 34.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.849 -0.797 . . . . 73.13 108.849 174.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.48 152.09 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 108.494 -0.928 . . . . 73.04 108.494 175.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -95.87 121.16 37.32 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.431 -0.581 . . . . 74.03 109.431 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.405 HD21 ' CD1' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -118.68 118.39 31.5 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 106.822 -1.547 . . . . 74.44 106.822 170.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.2 153.4 18.43 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 109.673 -0.491 . . . . 65.35 109.673 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.9 p -107.1 152.52 23.93 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.638 -0.875 . . . . 73.32 108.638 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.401 ' OG1' ' SG ' ' A' ' 159' ' ' CYS . 16.0 p -68.85 -19.91 64.27 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.056 0.542 . . . . 74.02 111.294 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -82.67 -23.54 34.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.842 0.857 . . . . 75.14 111.374 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.85 -120.5 1.23 Allowed Glycine 0 C--N 1.351 1.403 0 CA-C-O 118.76 -1.022 . . . . 60.31 113.09 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -48.98 140.98 23.03 Favored 'Trans proline' 0 C--N 1.391 2.774 0 C-N-CA 124.966 3.777 . . . . 63.53 114.054 -170.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.98 161.63 43.35 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.75 2.3 . . . . 74.25 113.485 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.67 129.94 51.88 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 125.187 1.395 . . . . 74.51 108.983 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 72' ' ' ALA . 39.6 mt-10 -88.58 126.39 35.26 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.159 0.583 . . . . 65.41 109.745 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CD1' HD21 ' A' ' 75' ' ' LEU . 26.6 m-85 -122.76 134.42 54.44 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.257 -1.016 . . . . 72.14 108.257 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.2 m -84.18 138.8 32.8 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.336 -0.616 . . . . 73.32 109.336 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -72.58 109.91 6.58 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.121 -1.066 . . . . 73.35 108.121 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 106' ' ' ARG . . . -84.3 -46.86 11.35 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.523 0.677 . . . . 74.01 109.971 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -155.28 166.97 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.441 -1.254 . . . . 62.02 109.938 -175.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.6 t -131.07 126.59 59.65 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 N-CA-C 107.126 -1.435 . . . . 72.55 107.126 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -105.08 125.45 50.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.2 1.0 . . . . 73.41 110.086 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.06 122.61 6.79 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 110.564 -1.014 . . . . 74.11 110.564 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -142.9 -176.4 4.88 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.916 0.858 . . . . 75.41 110.3 -175.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -132.19 156.45 46.42 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.706 0.802 . . . . 53.41 109.317 174.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 tp -169.56 131.53 1.14 Allowed 'General case' 0 C--O 1.251 1.148 0 N-CA-C 108.73 -0.841 . . . . 75.41 108.73 -169.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.01 -102.86 1.2 Allowed Glycine 0 C--N 1.351 1.4 0 N-CA-C 112.106 -0.397 . . . . 62.1 112.106 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -124.46 -1.81 8.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.839 0.855 . . . . 74.45 110.401 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.1 m -130.01 157.18 43.06 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.977 0.894 . . . . 74.3 112.626 -168.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -94.89 119.77 34.0 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 114.032 -1.44 . . . . 72.31 108.264 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -118.97 155.98 30.4 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.61 0.764 . . . . 64.11 109.383 -172.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.4 m -128.11 131.37 49.02 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.019 0.528 . . . . 75.14 110.091 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 mp -121.55 132.02 54.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.104 1.361 . . . . 74.2 108.221 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.6 m -95.25 134.24 38.22 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.067 0.461 . . . . 74.4 110.19 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.562 ' HB2' ' HB3' ' A' ' 113' ' ' LEU . . . -98.53 121.87 41.02 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 124.416 1.086 . . . . 72.22 108.912 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -100.82 152.74 20.16 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.758 0.789 . . . . 72.24 112.061 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.401 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 42.0 ttt180 -95.37 118.58 32.36 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 125.781 1.632 . . . . 74.54 108.026 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.2 t -114.69 129.42 70.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 C-N-CA 124.242 1.017 . . . . 74.01 108.611 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -63.24 142.63 58.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.214 0.606 . . . . 65.31 110.807 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.18 -39.18 2.25 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-N 116.277 -0.42 . . . . 64.03 113.288 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -64.57 151.7 43.95 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.233 1.013 . . . . 73.21 110.525 176.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.7 t -109.54 -20.66 12.79 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.833 0.853 . . . . 72.52 109.469 -174.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.4 m -103.91 -179.15 3.87 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.193 0.997 . . . . 74.13 110.062 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.562 ' HB3' ' HB2' ' A' ' 104' ' ' ALA . 49.9 mt -102.95 134.89 45.63 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.459 -0.941 . . . . 71.44 108.459 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.48 108.14 20.08 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.09 -1.078 . . . . 75.23 108.09 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.47 101.73 47.01 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.307 0.643 . . . . 54.52 109.848 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -90.29 123.07 1.01 Allowed 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 123.355 2.703 . . . . 73.33 110.939 167.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.428 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 19.8 p90 -146.46 170.93 15.84 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.466 0.706 . . . . 74.25 109.686 177.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.23 163.43 28.6 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.144 0.497 . . . . 75.13 110.716 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.544 ' HB2' ' H ' ' A' ' 122' ' ' THR . 1.5 m-20 -112.8 -170.73 1.73 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.543 1.137 . . . . 75.44 110.009 -176.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -79.62 -39.84 30.64 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.629 -1.169 . . . . 73.43 108.659 152.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 m -51.16 -42.03 60.55 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.829 1.652 . . . . 74.52 111.876 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.544 ' H ' ' HB2' ' A' ' 119' ' ' ASP . 40.9 p -63.39 -43.76 96.66 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.153 -0.93 . . . . 65.41 111.056 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.6 -20.72 66.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.103 0.961 . . . . 64.55 112.414 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 126' ' ' ARG . 43.0 m-20 -81.54 -8.89 59.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.12 0.568 . . . . 70.11 111.954 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.1 -16.46 28.07 Favored Glycine 0 C--N 1.352 1.451 0 N-CA-C 114.284 0.474 . . . . 55.34 114.284 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.468 ' HG2' ' HB2' ' A' ' 124' ' ' ASP . 26.2 ptt180 -63.35 -21.85 66.52 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.862 0.865 . . . . 73.32 111.862 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 26.9 p -133.44 159.42 40.41 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.679 -0.86 . . . . 73.54 108.679 165.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.75 96.15 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 126.534 1.934 . . . . 75.11 114.553 177.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.438 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 11.7 pt-20 -70.26 -20.75 63.04 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.38 1.072 . . . . 71.22 112.373 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -78.61 -8.19 58.38 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.269 0.628 . . . . 72.5 111.9 176.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 141.52 155.45 6.47 Favored Glycine 0 C--N 1.341 0.832 0 CA-C-N 116.784 -0.189 . . . . 61.41 112.803 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -109.4 145.13 36.63 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.498 1.119 . . . . 75.34 108.28 169.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -111.59 162.94 14.62 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.662 0.385 . . . . 74.03 110.199 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.428 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 1.6 tt -157.72 141.98 16.14 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 107.304 -1.369 . . . . 71.55 107.304 170.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.27 132.68 46.68 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.035 -1.098 . . . . 74.24 108.035 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 77.3 t -114.91 122.73 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 109.257 -0.646 . . . . 74.51 109.257 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.466 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 29.4 t70 -78.07 111.76 20.58 Favored Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 108.595 -0.891 . . . . 72.41 108.595 174.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.79 -38.03 25.4 Favored 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 122.481 2.121 . . . . 65.52 112.682 -177.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 55.69 28.96 12.89 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.31 1.044 . . . . 74.44 112.914 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 57.26 44.26 93.4 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 114.056 0.382 . . . . 53.55 114.056 -169.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.07 160.65 28.9 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.667 0.387 . . . . 64.15 110.785 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -138.3 171.67 14.04 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.225 0.61 . . . . 74.51 109.439 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.18 112.58 3.71 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 123.776 0.673 . . . . 65.21 112.28 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 114.44 -17.89 18.33 Favored Glycine 0 N--CA 1.467 0.747 0 CA-C-O 119.659 -0.523 . . . . 65.12 112.794 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -74.71 -179.65 4.26 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 109.29 -0.633 . . . . 71.44 109.29 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -133.84 160.67 36.94 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.108 0.48 . . . . 74.44 110.483 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.64 148.73 28.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 C-N-CA 124.51 1.124 . . . . 64.45 108.245 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.95 112.46 18.36 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.873 -0.417 . . . . 41.21 109.873 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.8 mt -96.59 88.72 4.75 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 124.035 0.934 . . . . 75.42 108.532 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 45.6 t0 -94.9 111.09 22.91 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.75 -0.833 . . . . 73.14 108.75 177.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.499 ' HB3' HG21 ' A' ' 180' ' ' ILE . 44.3 m-85 -72.31 -14.53 61.77 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.972 0.909 . . . . 74.4 111.651 -177.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . 0.556 HD22 HG21 ' A' ' 54' ' ' ILE . 29.8 t30 -57.55 -35.24 70.07 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.801 0.841 . . . . 71.11 111.182 171.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 150' ' ' ASP . 3.9 mm? -83.36 10.82 7.79 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.621 0.768 . . . . 75.35 112.403 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -61.64 137.06 58.22 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 112.866 0.691 . . . . 63.51 112.866 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -102.02 177.95 4.75 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 124.716 1.206 . . . . 72.31 111.43 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -133.92 139.37 33.17 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-N 114.033 -1.44 . . . . 73.22 111.458 -162.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.49 138.15 17.17 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 122.782 2.322 . . . . 73.35 110.979 163.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.11 -2.91 46.56 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.852 0.861 . . . . 75.1 111.482 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . 0.401 ' SG ' ' OG1' ' A' ' 78' ' ' THR . 26.6 m -61.64 -36.73 81.6 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.774 1.23 . . . . 73.03 112.407 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.87 -9.99 25.14 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.44 1.096 . . . . 71.03 113.307 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -91.89 14.16 16.4 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.312 1.045 . . . . 74.13 111.999 -170.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 108.91 7.05 29.69 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 119.947 -0.363 . . . . 75.5 113.836 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -166.16 118.91 0.83 Allowed Glycine 0 C--N 1.341 0.807 0 N-CA-C 110.63 -0.988 . . . . 60.02 110.63 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 61.6 p -62.46 112.72 2.57 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.492 0.717 . . . . 74.24 112.761 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -92.87 -175.67 3.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.652 0.781 . . . . 75.55 109.462 170.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 23.2 t -90.23 93.39 9.33 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.677 -0.49 . . . . 70.13 109.677 -176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 18.6 p -124.27 135.57 53.5 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 108.283 -1.006 . . . . 75.2 108.283 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.08 119.7 17.68 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.905 0.882 . . . . 75.4 110.614 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.16 126.82 79.06 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.285 1.034 . . . . 73.21 109.365 171.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -63.02 144.88 93.79 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.449 2.099 . . . . 65.11 111.586 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.09 156.13 67.7 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 121.962 1.775 . . . . 75.03 111.457 174.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -55.39 -30.22 59.97 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.002 0.921 . . . . 75.25 113.156 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.17 -23.04 62.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.093 0.557 . . . . 74.11 111.728 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -100.43 11.38 39.57 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.173 0.511 . . . . 75.24 110.618 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -82.72 99.81 9.86 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 107.052 -1.462 . . . . 75.42 107.052 170.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.58 117.02 63.96 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 123.984 0.913 . . . . 64.5 109.895 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -70.53 64.16 2.25 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.995 2.464 . . . . 72.31 112.345 165.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -153.88 147.55 25.23 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 124.586 1.154 . . . . 74.03 108.282 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -94.79 109.77 21.7 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.73 -0.47 . . . . 71.22 109.73 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . 0.499 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.4 mp -95.19 101.86 12.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 107.33 -1.359 . . . . 73.3 107.33 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 41.3 p -92.06 62.26 4.17 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.995 0.903 . . . . 74.51 109.359 176.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.56 0 CA-C-N 114.218 -1.355 . . . . 73.51 107.35 174.797 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 CA--C 1.566 1.578 0 N-CA-C 110.649 -0.13 . . . . 73.01 110.649 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.538 ' HG3' ' HA ' ' A' ' 141' ' ' ALA . 98.6 Cg_endo -82.49 139.45 10.22 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 123.684 2.923 . . . . 70.53 111.021 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -178.01 -48.73 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.967 1.307 . . . . 74.32 108.153 -173.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -83.48 31.24 0.52 Allowed 'Trans proline' 0 C--N 1.396 3.03 0 C-N-CA 122.101 1.867 . . . . 71.21 111.893 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.5 m -61.7 -29.08 45.44 Favored 'Isoleucine or valine' 0 C--N 1.359 1.018 0 C-N-CA 124.256 1.022 . . . . 74.25 109.41 171.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 t -93.16 72.18 4.59 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 114.63 -1.168 . . . . 75.1 108.069 166.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -43.01 175.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 125.801 1.64 . . . . 74.22 114.585 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -49.8 139.49 13.12 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 118.505 -0.759 . . . . 73.3 109.919 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -45.52 -34.11 3.09 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 113.457 0.91 . . . . 71.01 113.457 -165.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.09 -57.52 12.49 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.604 0.761 . . . . 72.42 111.274 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -70.24 -33.96 72.27 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.533 0.733 . . . . 74.33 111.608 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -62.19 -53.92 48.33 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.07 0.948 . . . . 75.52 109.447 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.436 ' HG2' HG23 ' A' ' 54' ' ' ILE . 55.9 mtt180 -69.61 -23.19 63.48 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.658 0.598 . . . . 75.52 111.755 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -43.96 77.04 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 122.884 0.473 . . . . 74.2 112.156 170.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 31.7 mmt180 -63.01 -41.27 99.52 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 109.56 -0.533 . . . . 75.12 109.56 175.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.786 HG22 HD11 ' A' ' 153' ' ' LEU . 85.8 mt -60.78 -44.13 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 124.615 1.166 . . . . 75.52 110.965 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.41 -43.27 93.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.339 0.656 . . . . 70.13 110.924 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.81 -34.7 75.95 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.715 0.634 . . . . 71.33 110.959 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.462 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 6.5 t-160 -62.38 -55.43 27.97 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.63 1.172 . . . . 73.2 110.164 176.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -61.12 -48.27 82.42 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.894 0.877 . . . . 75.32 109.871 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.37 88.54 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 115.25 -0.887 . . . . 72.45 111.306 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.11 -48.4 81.86 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.016 0.822 . . . . 74.13 110.933 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 65.8 mmtt -71.66 -24.69 61.89 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.393 0.433 . . . . 73.44 111.601 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.599 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -73.0 -47.94 40.7 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.265 0.626 . . . . 71.24 111.262 172.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -80.38 -12.87 59.53 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.981 0.512 . . . . 71.21 111.478 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.459 ' HA ' ' HB2' ' A' ' 33' ' ' HIS . 83.9 t80 -53.88 -51.63 63.07 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.889 0.876 . . . . 70.2 111.781 177.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HA ' ' O ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -86.02 -15.85 40.09 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.851 -0.613 . . . . 73.01 112.453 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.38 -56.91 3.15 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.026 0.53 . . . . 75.41 111.549 -171.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.8 t -116.61 -46.31 2.77 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.166 0.587 . . . . 72.12 111.452 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 29' ' ' PHE . 15.5 m170 -47.63 117.66 1.92 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.771 0.828 . . . . 72.24 111.489 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.1 -19.19 4.56 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.897 1.679 . . . . 72.11 114.054 -175.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -60.52 -34.99 74.91 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.174 0.99 . . . . 74.25 113.343 -175.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.583 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 50.1 m -159.43 103.15 1.5 Allowed Pre-proline 0 CA--C 1.547 0.86 0 N-CA-C 108.433 -0.951 . . . . 75.34 108.433 -174.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -74.89 145.76 32.3 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 122.204 1.936 . . . . 71.23 112.421 170.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 tt -88.55 140.65 29.96 Favored Pre-proline 0 CA--C 1.561 1.371 0 N-CA-C 108.639 -0.874 . . . . 75.53 108.639 173.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.39 147.6 56.12 Favored 'Trans proline' 0 C--N 1.383 2.369 0 C-N-CA 122.594 2.196 . . . . 71.51 112.489 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -61.27 -25.68 80.85 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.853 2.369 . . . . 72.24 112.744 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.85 -49.83 74.68 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.447 0.699 . . . . 64.22 111.105 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -77.51 -27.92 51.93 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.349 0.66 . . . . 73.12 110.422 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -64.35 -29.06 70.15 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.742 -0.663 . . . . 72.04 111.123 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.39 -38.65 91.33 Favored Glycine 0 C--N 1.348 1.245 0 N-CA-C 111.442 -0.663 . . . . 75.15 111.442 170.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.51 1.17 30.52 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.955 0.902 . . . . 75.21 112.841 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -78.96 104.35 9.54 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.468 0.651 . . . . 75.23 110.142 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -115.29 -0.0 13.34 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.448 -0.945 . . . . 75.32 108.448 164.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.14 139.14 4.37 Favored Glycine 0 C--N 1.339 0.712 0 N-CA-C 108.742 -1.743 . . . . 74.11 108.742 -166.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.599 HD21 ' HA ' ' A' ' 27' ' ' ASP . 2.2 mm? -82.36 179.7 7.71 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 109.142 -0.688 . . . . 61.53 109.142 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -72.79 110.38 7.08 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.743 -1.206 . . . . 71.32 107.743 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -111.97 112.97 25.0 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.859 -1.163 . . . . 73.14 107.859 -171.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -74.38 125.72 29.12 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.089 -0.96 . . . . 74.11 109.356 -171.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -90.78 166.65 12.99 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.15 -0.932 . . . . 73.43 110.352 -166.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.44 HD11 HG21 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -69.4 148.97 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 123.654 0.596 . . . . 75.45 110.553 -169.384 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -163.2 109.48 1.15 Allowed 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.76 0.662 . . . . 61.42 109.593 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.56 -22.84 62.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.482 0.713 . . . . 54.41 111.719 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -82.54 -35.68 27.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.289 0.636 . . . . 73.04 110.45 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -85.94 6.38 28.79 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.578 0.751 . . . . 74.45 111.228 173.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -97.13 100.72 12.2 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 106.108 -1.812 . . . . 74.43 106.108 166.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.1 m -101.36 167.75 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 108.984 -0.747 . . . . 74.14 108.984 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.75 115.42 30.11 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.764 -1.199 . . . . 72.12 107.764 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.32 146.59 34.1 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.651 0.78 . . . . 73.53 109.162 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -74.23 118.99 17.83 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.921 -0.77 . . . . 75.45 108.921 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -78.95 106.23 10.84 Favored 'General case' 0 C--O 1.25 1.101 0 N-CA-C 108.643 -0.873 . . . . 73.14 108.643 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -110.83 97.52 34.0 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 107.843 -1.169 . . . . 65.33 107.843 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.632 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 56.1 Cg_endo -66.67 154.67 73.61 Favored 'Trans proline' 0 C--N 1.362 1.257 0 C-N-CA 122.645 2.23 . . . . 70.51 111.477 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.56 112.49 5.39 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 106.69 -1.596 . . . . 63.11 106.69 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -61.47 -16.28 45.57 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.401 0.68 . . . . 64.31 111.865 -171.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -142.97 90.69 7.41 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 107.662 -1.236 . . . . 74.2 107.662 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -62.73 129.14 25.29 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.692 2.261 . . . . 74.54 112.012 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -138.84 160.01 40.75 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.464 0.305 . . . . 73.11 111.634 -168.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.37 108.07 5.29 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.202 -0.908 . . . . 71.53 111.279 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.4 m -106.51 153.68 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.061 0.945 . . . . 74.44 108.718 172.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.76 127.7 53.61 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.203 0.601 . . . . 73.43 109.522 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.416 HD23 ' HD1' ' A' ' 85' ' ' TYR . 2.6 mm? -110.65 118.23 35.63 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.174 -1.047 . . . . 74.1 108.174 174.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -68.26 150.99 47.59 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.776 -0.824 . . . . 71.02 108.776 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.5 p -127.7 167.32 16.61 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.145 -0.687 . . . . 73.54 109.145 -174.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.414 HG23 HD22 ' A' ' 169' ' ' LEU . 19.3 p -87.75 -27.9 22.07 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.645 0.778 . . . . 72.44 110.791 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -72.14 -31.92 66.43 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.914 0.886 . . . . 75.42 111.628 -175.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.58 -123.31 1.19 Allowed Glycine 0 C--N 1.347 1.16 0 CA-C-O 118.382 -1.232 . . . . 62.53 112.075 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.96 149.69 77.45 Favored 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 123.72 2.947 . . . . 75.14 113.833 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.2 158.69 56.4 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.647 2.231 . . . . 74.32 112.72 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -114.05 124.86 53.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.14 0.976 . . . . 74.33 110.13 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -84.91 126.28 33.36 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.76 0.424 . . . . 75.22 110.915 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.517 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 81.0 m-85 -130.07 148.66 51.94 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.452 -0.944 . . . . 74.14 108.452 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 9.4 m -87.7 114.41 24.28 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 118.274 -0.869 . . . . 73.01 109.304 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -66.52 111.19 3.47 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 119.967 1.258 . . . . 74.5 109.222 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.462 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -97.09 -33.15 11.63 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.522 0.729 . . . . 63.51 111.328 -172.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.632 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -153.93 170.13 21.77 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.48 0.548 . . . . 75.32 112.48 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.474 HG13 HG21 ' A' ' 101' ' ' THR . 0.2 OUTLIER -139.16 124.81 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 N-CA-C 106.298 -1.741 . . . . 72.4 106.298 168.576 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 101' ' ' THR . 2.7 mm? -100.83 121.1 41.12 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.305 0.642 . . . . 75.03 110.516 -173.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.17 117.44 5.87 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 111.679 -0.568 . . . . 71.44 111.679 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.634 ' HE2' ' HB2' ' A' ' 102' ' ' LEU . 48.1 p90 -144.54 -174.11 4.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.773 0.829 . . . . 73.55 109.206 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.46 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 9.1 p-10 -132.25 145.38 51.27 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.883 0.873 . . . . 74.12 109.497 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.481 HD13 HD11 ' A' ' 180' ' ' ILE . 29.1 mt -154.77 129.95 9.62 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.65 1.18 . . . . 74.42 108.907 178.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.07 -107.03 1.77 Allowed Glycine 0 C--N 1.348 1.244 0 O-C-N 123.248 0.343 . . . . 65.03 112.95 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -103.81 -17.96 14.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.096 0.959 . . . . 74.25 111.438 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.6 m -120.51 139.7 52.52 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.457 0.54 . . . . 53.25 112.457 -165.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 9.0 p80 -83.77 129.66 34.94 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 106.809 -1.552 . . . . 74.22 106.809 163.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -133.45 147.96 51.72 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.82 0.448 . . . . 65.23 109.811 -170.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.474 HG21 HG13 ' A' ' 90' ' ' VAL . 2.4 m -121.55 122.23 39.21 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 108.042 -1.096 . . . . 74.21 108.042 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.634 ' HB2' ' HE2' ' A' ' 93' ' ' PHE . 10.2 tp -112.31 127.56 56.03 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.056 0.942 . . . . 74.31 109.136 -165.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.9 m -84.82 122.83 29.71 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.287 0.494 . . . . 64.51 110.535 -170.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.557 ' HA ' HG23 ' A' ' 115' ' ' VAL . . . -103.01 123.4 46.55 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.685 1.194 . . . . 62.53 109.279 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 34.2 m-85 -99.16 171.16 8.18 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 123.653 0.781 . . . . 74.31 109.586 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.612 ' HB3' ' HB ' ' A' ' 86' ' ' THR . 33.0 ttm180 -117.96 125.75 51.01 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 124.41 1.084 . . . . 74.33 108.439 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.633 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 21.4 t -98.78 121.19 49.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 107.752 -1.203 . . . . 71.1 107.752 173.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.29 126.96 29.8 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 123.69 0.619 . . . . 72.35 110.316 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.3 -27.61 8.31 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 116.125 -0.489 . . . . 73.22 113.106 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.633 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 10.7 tp10 -96.78 122.76 40.09 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.333 0.653 . . . . 73.22 109.713 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.1 m -67.58 -17.53 64.66 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.178 0.991 . . . . 74.34 112.851 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' A' ' 135' ' ' ASP . 73.2 m -93.69 147.6 22.88 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.531 0.681 . . . . 52.14 111.417 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 78.9 mt -84.66 132.72 34.45 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.128 1.371 . . . . 75.25 109.974 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.37 112.63 23.1 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.037 -1.098 . . . . 74.3 108.037 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.557 HG23 ' HA ' ' A' ' 104' ' ' ALA . 14.9 t -118.65 86.28 29.12 Favored Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 123.306 0.642 . . . . 72.24 109.437 177.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -75.54 122.57 7.02 Favored 'Trans proline' 0 C--N 1.367 1.545 0 C-N-CA 121.682 1.588 . . . . 75.21 109.01 166.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -140.64 172.96 11.97 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.618 0.367 . . . . 60.01 110.615 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.43 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.9 p -133.83 164.14 27.93 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.56 0.744 . . . . 75.23 109.62 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.426 ' HB3' HD12 ' A' ' 180' ' ' ILE . 1.2 p30 -151.62 -179.27 7.27 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.915 0.886 . . . . 75.2 110.382 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -66.35 -25.9 67.03 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.871 0.367 . . . . 71.34 110.722 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.499 HG23 ' HB ' ' A' ' 181' ' ' THR . 11.2 m -75.47 -28.01 59.08 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.31 1.044 . . . . 74.45 111.224 -176.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.593 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 73.0 p -68.35 -36.8 79.77 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 120.882 0.372 . . . . 74.45 110.133 175.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.81 -34.63 78.24 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.406 -0.815 . . . . 72.34 110.967 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.37 -15.24 58.2 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.219 0.608 . . . . 73.13 110.95 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.48 32.32 25.32 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 116.389 -0.369 . . . . 75.44 113.206 177.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.467 ' HB2' HG22 ' A' ' 121' ' ' THR . 34.2 mmt-85 -104.51 -45.46 4.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.04 -0.726 . . . . 75.05 109.04 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.2 p -101.83 163.42 12.26 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 108.216 -1.031 . . . . 71.43 108.216 161.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -72.99 126.49 30.06 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.421 0.288 . . . . 73.24 111.556 -168.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.593 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 10.2 pt-20 -64.67 -37.73 88.58 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 114.08 1.141 . . . . 55.12 114.08 -168.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -72.68 -9.93 59.2 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.661 0.385 . . . . 74.04 111.77 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.62 168.9 12.92 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 111.458 -0.657 . . . . 74.41 111.458 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -140.19 143.45 36.09 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.472 0.709 . . . . 73.32 109.107 167.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -91.56 137.4 32.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.834 0.454 . . . . 73.43 110.257 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.435 HD23 HG21 ' A' ' 136' ' ' VAL . 2.5 tt -133.61 119.26 19.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.469 -2.049 . . . . 74.53 105.469 168.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.517 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 3.4 p-10 -102.79 110.72 22.74 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.625 0.726 . . . . 72.52 109.261 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.435 HG21 HD23 ' A' ' 134' ' ' LEU . 39.3 t -95.75 134.01 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 114.638 -1.165 . . . . 73.33 110.258 -171.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.53 114.64 49.26 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 108.978 -0.749 . . . . 71.45 108.978 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.56 -34.73 8.93 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.355 2.037 . . . . 74.53 111.763 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 50.36 44.04 26.68 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.233 1.013 . . . . 55.2 112.236 -175.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.8 46.6 54.47 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 115.563 -0.744 . . . . 75.54 114.488 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.538 ' HA ' ' HG3' ' A' ' 5' ' ' PRO . . . -76.21 165.17 25.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.509 0.559 . . . . 72.31 112.509 177.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -141.12 169.83 16.87 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.39 0.676 . . . . 73.25 110.355 -174.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 66' ' ' PRO . . . -60.23 112.6 4.63 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 124.0 0.809 . . . . 74.21 114.183 -173.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 99.73 3.67 56.04 Favored Glycine 0 C--N 1.339 0.701 0 O-C-N 124.17 0.571 . . . . 75.14 113.129 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -84.44 -175.46 5.8 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 108.829 -0.804 . . . . 73.25 108.829 166.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -137.7 150.59 47.45 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.306 0.574 . . . . 75.41 110.97 173.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.78 160.39 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.501 1.12 . . . . 74.41 109.286 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.9 114.93 20.84 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 123.04 0.536 . . . . 74.13 110.69 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.31 87.54 5.67 Favored 'General case' 0 C--O 1.246 0.902 0 C-N-CA 123.917 0.887 . . . . 74.44 109.113 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.506 ' HB3' HD21 ' A' ' 153' ' ' LEU . 4.3 m-20 -74.85 93.81 2.69 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.804 -1.089 . . . . 75.41 109.792 169.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.523 ' HB3' HG22 ' A' ' 180' ' ' ILE . 26.4 m-85 -71.86 -18.61 62.05 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.219 0.608 . . . . 75.12 110.843 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -75.63 -4.56 40.84 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.051 0.94 . . . . 74.21 111.32 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.786 HD11 HG22 ' A' ' 19' ' ' ILE . 4.1 mm? -105.55 5.06 31.06 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.093 0.957 . . . . 73.32 111.592 172.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -81.62 106.1 13.29 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.731 -0.47 . . . . 74.5 109.731 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -100.44 176.71 5.26 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.147 0.979 . . . . 74.43 110.162 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -94.9 151.99 39.33 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 122.977 0.511 . . . . 74.01 110.203 -174.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -59.47 149.07 84.09 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 123.296 2.664 . . . . 74.31 112.957 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -80.53 -18.45 48.44 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.488 -0.778 . . . . 73.31 111.325 -177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 43.6 t -59.35 -23.83 62.85 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.429 0.692 . . . . 73.13 111.323 172.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -56.28 -27.5 55.56 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 123.807 0.843 . . . . 74.11 112.269 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -85.55 19.12 2.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.302 0.641 . . . . 74.34 110.943 -172.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 102.92 -62.11 0.46 Allowed Glycine 0 C--N 1.348 1.215 0 O-C-N 122.282 -0.261 . . . . 71.13 112.78 163.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.55 30.37 2.31 Favored Glycine 0 N--CA 1.47 0.928 0 N-CA-C 113.66 0.224 . . . . 74.41 113.66 -175.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 18.7 t -81.46 -178.84 7.12 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 109.28 -0.637 . . . . 43.55 109.28 168.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -77.56 -174.16 3.27 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 113.23 0.826 . . . . 72.02 113.23 -170.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 93.6 p -67.43 146.15 54.31 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.657 1.183 . . . . 73.32 113.165 -167.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.9 p -118.64 125.29 49.43 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.825 -0.806 . . . . 64.11 108.825 173.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -69.51 106.41 2.98 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.76 0.824 . . . . 72.43 109.646 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.414 HD22 HG23 ' A' ' 78' ' ' THR . 89.7 mt -64.16 127.52 92.04 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.384 0.674 . . . . 74.41 109.547 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.43 ' HG3' HG23 ' A' ' 118' ' ' THR . 20.5 Cg_endo -59.64 140.3 93.04 Favored 'Trans proline' 0 C--N 1.373 1.848 0 C-N-CA 123.179 2.586 . . . . 72.41 112.562 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.42 162.5 23.76 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.046 1.831 . . . . 75.3 111.305 166.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -54.7 -30.68 56.48 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.401 0.68 . . . . 71.51 111.71 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.29 -22.24 66.88 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.619 1.168 . . . . 75.22 112.065 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.497 ' HA ' HD13 ' A' ' 102' ' ' LEU . 3.7 m-20 -102.36 6.02 40.09 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.58 0.752 . . . . 74.13 111.73 -177.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -84.93 102.16 12.91 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.199 -0.667 . . . . 75.54 109.199 171.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 32.3 t -76.49 126.77 85.79 Favored Pre-proline 0 CA--C 1.55 0.947 0 N-CA-C 108.729 -0.841 . . . . 74.12 108.729 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -81.61 32.07 0.52 Allowed 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.046 2.498 . . . . 72.51 112.93 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -134.25 151.88 51.52 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.285 1.034 . . . . 73.52 108.683 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.93 123.16 29.15 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.219 0.608 . . . . 45.45 109.929 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . 0.523 HG22 ' HB3' ' A' ' 151' ' ' PHE . 3.3 mp -114.45 104.35 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 107.253 -1.388 . . . . 75.3 107.253 173.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' THR . . . . . 0.499 ' HB ' HG23 ' A' ' 121' ' ' THR . 1.3 t -132.9 94.94 3.47 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.472 0.653 . . . . 63.12 110.423 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.605 0 N-CA-C 106.599 -1.63 . . . . 73.51 106.599 165.757 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.435 HG13 ' HD2' ' A' ' 5' ' ' PRO . 2.8 tp . . . . . 0 CA--C 1.562 1.43 0 N-CA-C 107.296 -1.372 . . . . 75.54 107.296 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.435 ' HD2' HG13 ' A' ' 4' ' ' ILE . 57.0 Cg_endo -72.11 128.28 13.74 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 121.358 1.372 . . . . 73.3 110.882 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mt 179.6 -53.28 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 125.555 1.542 . . . . 64.01 107.85 -176.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -81.12 37.35 0.68 Allowed 'Trans proline' 0 C--N 1.405 3.531 0 C-N-CA 122.16 1.906 . . . . 72.01 112.423 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 137' ' ' ASP . 32.9 m -64.93 -32.21 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 N-CA-C 108.424 -0.954 . . . . 74.33 108.424 164.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -93.27 97.56 10.7 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 105.435 -2.061 . . . . 75.43 105.435 159.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -83.34 -164.23 0.86 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.664 -1.273 . . . . 65.53 111.475 -164.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t -48.03 122.86 5.52 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.726 1.21 . . . . 74.01 110.522 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.51 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 4.9 p-10 -56.71 -22.67 36.77 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 115.11 1.522 . . . . 72.13 115.11 -160.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -68.63 -50.45 51.26 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.22 0.464 . . . . 74.41 110.95 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.27 -23.59 51.17 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.132 0.573 . . . . 65.01 111.04 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.559 ' O ' HG13 ' A' ' 19' ' ' ILE . 27.7 t90 -69.92 -46.01 66.29 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 108.963 -0.754 . . . . 73.35 108.963 173.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -69.48 -30.95 68.95 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.037 0.535 . . . . 74.43 110.714 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.98 89.43 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.116 0.566 . . . . 75.33 110.771 168.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -64.69 -38.96 92.77 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 122.952 0.501 . . . . 63.4 110.724 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 15' ' ' TRP . 27.9 mt -65.03 -49.95 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 109.493 -0.558 . . . . 71.44 109.493 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.45 94.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.679 -1.146 . . . . 75.24 111.24 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.89 50.9 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.49 0.716 . . . . 64.21 112.03 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -62.47 -47.47 83.89 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.574 0.75 . . . . 74.54 109.227 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -61.35 -45.27 95.09 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.852 0.72 . . . . 75.5 110.379 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.8 -42.05 88.17 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.706 0.629 . . . . 75.54 110.577 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.79 -50.53 66.4 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 124.299 0.999 . . . . 63.34 110.073 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 16.0 mmmt -72.96 -17.74 61.44 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 123.518 0.511 . . . . 70.15 111.192 -174.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -80.73 -48.65 12.24 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.116 0.966 . . . . 74.4 109.929 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.74 -15.25 58.67 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.605 -0.725 . . . . 70.24 110.449 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -50.35 -53.47 28.75 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.188 1.395 . . . . 71.25 112.161 -176.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.672 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -82.52 -17.43 45.05 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.389 -0.823 . . . . 72.12 111.331 -174.279 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.05 -32.35 21.46 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.293 0.637 . . . . 72.12 111.424 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.1 p -126.57 -60.08 1.26 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.092 0.557 . . . . 75.52 111.704 -176.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -55.77 124.08 16.32 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 123.942 0.776 . . . . 72.3 111.21 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.29 -17.76 64.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.574 1.15 . . . . 73.54 113.082 -168.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.24 -27.5 69.39 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.503 0.927 . . . . 74.44 113.503 -171.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.2 m -155.9 76.01 4.84 Favored Pre-proline 0 N--CA 1.483 1.179 0 O-C-N 121.969 -0.457 . . . . 62.0 110.064 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -65.14 130.4 25.52 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.562 2.175 . . . . 74.11 112.725 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.672 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 17.3 tt -72.56 144.78 86.68 Favored Pre-proline 0 N--CA 1.488 1.465 0 C-N-CA 124.814 1.246 . . . . 74.04 109.406 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -36.87 124.77 0.42 Allowed 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 123.576 2.851 . . . . 74.43 113.906 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.53 -28.62 65.62 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.745 2.963 . . . . 74.44 114.271 -171.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.73 92.92 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.852 0.461 . . . . 74.41 111.0 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -76.51 -37.09 57.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.197 0.599 . . . . 62.42 109.923 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.486 ' HB2' HG23 ' A' ' 38' ' ' ILE . 76.3 ttt180 -64.19 -31.26 72.39 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.459 0.704 . . . . 74.41 111.706 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.3 -44.95 96.94 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 112.241 -0.344 . . . . 62.34 112.241 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.63 22.38 3.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.904 0.881 . . . . 73.3 112.009 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.31 124.96 29.79 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 109.436 -0.579 . . . . 72.11 109.436 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -124.53 -32.01 3.18 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.372 1.069 . . . . 64.41 108.66 166.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.26 117.8 0.84 Allowed Glycine 0 C--N 1.338 0.676 0 N-CA-C 108.773 -1.731 . . . . 61.45 108.773 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.78 -175.93 1.21 Allowed 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.653 0.74 . . . . 73.0 111.622 -174.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' H ' ' HD3' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -101.04 153.53 19.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.205 -0.907 . . . . 75.42 110.326 -168.535 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -153.39 128.64 9.79 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.865 0.866 . . . . 65.24 109.034 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -58.9 153.63 16.88 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.418 0.687 . . . . 65.05 111.674 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -74.29 158.69 33.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.216 0.606 . . . . 62.21 111.205 -176.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.499 HD11 HG22 ' A' ' 19' ' ' ILE . 13.4 mm -71.28 114.56 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.273 -0.876 . . . . 75.13 110.482 -170.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -115.12 113.96 24.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.355 0.662 . . . . 70.23 109.229 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.57 -6.37 43.59 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.785 0.834 . . . . 74.43 110.878 171.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.5 m -65.87 -36.82 84.5 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.537 1.135 . . . . 75.12 111.294 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.568 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 89.9 m-85 -85.13 7.31 22.17 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.011 0.924 . . . . 74.41 112.39 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 55.8 ttp180 -96.93 93.3 6.55 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.344 -0.984 . . . . 74.24 108.344 178.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.01 161.54 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 109.593 -0.521 . . . . 74.13 109.593 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.33 127.77 46.55 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.157 -1.053 . . . . 74.14 108.157 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.52 137.99 52.19 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.138 0.975 . . . . 64.34 109.277 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 92' ' ' GLY . 8.5 ptp85 -75.25 125.17 28.41 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 109.416 -0.586 . . . . 75.23 109.416 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -85.96 127.85 34.72 Favored 'General case' 0 C--O 1.251 1.147 0 C-N-CA 124.572 1.149 . . . . 73.15 109.273 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 24.2 tt0 -132.99 109.81 12.91 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 108.418 -0.956 . . . . 73.22 108.418 169.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.68 149.74 83.79 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.105 1.87 . . . . 74.44 110.201 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 110.99 2.48 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.515 -0.55 . . . . 74.24 109.515 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -56.65 -23.17 39.59 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.829 0.852 . . . . 73.14 112.644 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -141.56 97.72 6.63 Favored Pre-proline 0 CA--C 1.547 0.838 0 N-CA-C 109.037 -0.727 . . . . 55.01 109.037 163.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -66.11 121.25 8.53 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.373 2.048 . . . . 71.44 111.012 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -129.23 145.33 51.36 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.472 0.709 . . . . 74.53 110.722 -172.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.28 108.38 15.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.608 0.763 . . . . 73.51 109.643 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 19.5 m -106.78 160.39 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.517 1.127 . . . . 75.34 109.712 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -108.19 113.15 26.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.228 0.611 . . . . 73.02 109.411 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -98.91 128.0 44.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.101 -1.444 . . . . 73.14 107.101 174.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -60.8 144.21 53.02 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.122 -0.696 . . . . 72.51 109.122 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.4 p -116.62 164.28 14.84 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 118.388 0.54 . . . . 72.42 110.459 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.1 p -82.0 -23.96 35.7 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.939 0.896 . . . . 74.22 110.701 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -73.1 -31.07 64.1 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.443 0.697 . . . . 73.25 111.796 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.58 -121.4 1.28 Allowed Glycine 0 C--N 1.342 0.881 0 CA-C-O 118.62 -1.1 . . . . 74.35 111.558 -173.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -52.26 141.86 48.19 Favored 'Trans proline' 0 C--N 1.385 2.49 0 C-N-CA 124.144 3.229 . . . . 75.32 113.676 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.65 149.55 89.39 Favored 'Trans proline' 0 C--N 1.384 2.423 0 C-N-CA 123.001 2.468 . . . . 72.43 112.975 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.97 138.3 43.39 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.327 1.051 . . . . 71.22 109.956 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 9.5 pt-20 -85.18 124.02 31.35 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.626 0.579 . . . . 72.42 110.312 177.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.517 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.4 m-85 -128.95 134.36 48.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.346 1.058 . . . . 75.45 108.985 174.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.5 m -85.04 129.85 34.72 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.204 -0.665 . . . . 74.21 109.204 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -68.28 110.18 3.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.964 0.505 . . . . 63.42 109.869 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.41 -50.93 8.87 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 123.419 0.688 . . . . 70.21 111.067 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.87 175.58 13.76 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.88 -1.054 . . . . 73.2 110.48 -172.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.3 t -135.98 124.01 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 125.751 1.62 . . . . 72.53 107.027 172.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.73 135.26 44.7 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.894 0.877 . . . . 74.31 109.709 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.426 ' O ' ' HG2' ' A' ' 63' ' ' ARG . . . -120.55 139.46 13.6 Favored Glycine 0 N--CA 1.469 0.856 0 N-CA-C 110.884 -0.886 . . . . 72.53 110.884 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.403 ' HE2' HD12 ' A' ' 95' ' ' LEU . 25.8 p90 -163.73 156.19 17.71 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.786 0.793 . . . . 74.15 110.117 -175.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -93.44 158.31 15.78 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 109.426 -0.583 . . . . 74.51 109.426 172.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.403 HD12 ' HE2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -163.65 132.03 3.72 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 106.254 -1.758 . . . . 74.13 106.254 178.655 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.92 -101.63 1.58 Allowed Glycine 0 C--N 1.351 1.376 0 N-CA-C 111.215 -0.754 . . . . 62.45 111.215 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -131.86 7.21 4.37 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.278 1.031 . . . . 63.12 109.488 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 m -131.84 151.68 51.52 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 121.194 0.521 . . . . 73.31 112.179 -163.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -90.64 138.53 31.5 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.106 -0.952 . . . . 75.15 109.024 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -137.12 137.58 39.41 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.639 1.175 . . . . 72.33 109.314 -171.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.4 m -129.11 121.87 28.7 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.106 0.562 . . . . 44.53 109.52 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.423 ' HA ' ' ND2' ' A' ' 174' ' ' ASN . 6.1 mp -113.44 143.65 44.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.101 1.36 . . . . 74.22 109.093 -176.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.7 m -97.22 132.48 42.94 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 121.057 0.456 . . . . 62.21 109.939 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.93 126.53 47.57 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.739 1.215 . . . . 71.32 108.763 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 52.0 m-85 -101.75 168.4 9.47 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 123.81 0.844 . . . . 73.3 109.627 175.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.457 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 39.4 ttm180 -113.09 117.55 32.28 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.47 1.108 . . . . 70.23 108.786 -172.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -103.58 108.4 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.811 -1.551 . . . . 74.52 106.811 171.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -72.06 150.25 44.11 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.035 0.445 . . . . 73.43 110.414 -177.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.75 -38.35 3.12 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 114.752 -1.113 . . . . 70.21 111.769 -167.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.57 124.57 35.84 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.899 1.28 . . . . 72.12 109.485 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.9 t -75.14 -13.38 60.46 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.11 0.964 . . . . 63.54 112.539 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.2 m -92.68 140.85 29.1 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.542 0.737 . . . . 75.24 109.758 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.49 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 64.8 mt -81.58 146.34 30.17 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.984 0.914 . . . . 74.54 109.661 177.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.84 103.25 13.42 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.103 0.961 . . . . 72.34 108.449 -176.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.72 100.53 14.65 Favored Pre-proline 0 N--CA 1.473 0.695 0 N-CA-C 109.218 -0.66 . . . . 74.31 109.218 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -88.33 132.39 2.64 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 123.004 2.469 . . . . 74.42 110.963 172.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -155.69 168.81 25.97 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.833 0.853 . . . . 74.24 110.049 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.8 p -131.71 167.1 20.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.055 0.942 . . . . 70.42 108.615 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 1.9 p30 -147.56 -167.95 2.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.638 0.775 . . . . 64.42 110.303 -177.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.69 -33.5 53.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.776 0.43 . . . . 75.33 111.217 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.2 m -69.98 -32.26 70.38 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 123.756 0.823 . . . . 74.22 110.291 -175.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.1 p -68.5 -35.04 76.95 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.674 0.79 . . . . 64.45 111.501 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.36 -37.25 82.68 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.417 0.687 . . . . 71.2 111.807 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -67.54 -13.02 61.69 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.265 0.626 . . . . 74.13 111.968 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.63 18.83 80.03 Favored Glycine 0 C--N 1.344 0.981 0 O-C-N 123.271 0.357 . . . . 61.33 113.628 -176.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -101.11 -20.53 15.29 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.283 0.633 . . . . 74.5 109.989 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 19.1 p -122.2 -179.29 4.12 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 109.011 -0.737 . . . . 74.03 109.011 159.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.05 101.9 0.74 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.597 1.159 . . . . 75.22 111.384 -162.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -63.75 -31.24 72.35 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.72 0.408 . . . . 63.23 111.537 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -75.22 -14.23 60.51 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.368 0.667 . . . . 72.32 111.718 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 133.33 153.15 7.05 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 112.031 -0.428 . . . . 61.51 112.031 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -116.48 140.59 49.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.22 -1.4 . . . . 74.04 107.22 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.563 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 97.3 m-85 -103.2 168.77 8.96 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 118.502 0.592 . . . . 74.02 110.446 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.456 HD13 HD22 ' A' ' 149' ' ' LEU . 0.8 OUTLIER -143.64 130.78 20.69 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 107.88 -1.156 . . . . 64.41 107.88 169.59 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -95.07 100.67 12.46 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 107.635 -1.246 . . . . 74.53 107.635 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.9 t -109.47 117.03 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 115.422 -0.808 . . . . 74.33 109.414 -169.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.468 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 30.7 t70 -80.22 118.44 72.41 Favored Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 108.179 -1.045 . . . . 71.2 108.179 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.49 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 41.5 Cg_endo -66.09 -32.91 42.54 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.22 1.947 . . . . 74.11 111.86 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.32 40.59 26.68 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.228 1.011 . . . . 74.34 112.069 -175.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.98 43.91 55.84 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 116.137 -0.483 . . . . 75.42 114.197 -173.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.41 161.08 28.97 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.148 0.579 . . . . 73.43 111.773 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -129.62 166.53 19.56 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.867 1.267 . . . . 75.11 108.782 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 65' ' ' GLN . . . -60.35 114.56 6.6 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 111.725 -0.55 . . . . 75.54 111.725 177.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 115.85 -16.47 16.05 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-O 119.669 -0.517 . . . . 74.45 112.416 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -78.54 -174.39 3.81 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 117.514 0.657 . . . . 64.21 109.913 173.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -135.69 154.09 51.39 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.173 0.589 . . . . 73.43 110.105 173.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 20.4 m -137.54 153.53 28.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 125.604 1.562 . . . . 73.11 107.403 173.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.55 129.02 34.26 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.504 0.322 . . . . 73.32 111.324 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.456 HD22 HD13 ' A' ' 134' ' ' LEU . 15.6 mt -104.67 87.43 2.68 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 124.455 1.102 . . . . 73.13 108.611 168.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.497 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 5.1 p30 -94.18 102.34 14.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.609 -1.178 . . . . 73.51 109.519 176.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.568 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 26.7 m-85 -70.52 -16.39 62.89 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 114.882 -1.054 . . . . 75.12 111.641 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . 0.435 HD21 HD21 ' A' ' 153' ' ' LEU . 9.4 t30 -62.4 -38.45 89.7 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.136 0.575 . . . . 72.33 110.212 172.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.435 HD21 HD21 ' A' ' 152' ' ' ASN . 4.3 mm? -79.15 -6.23 56.03 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.049 0.94 . . . . 75.33 112.301 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.4 140.15 1.76 Allowed 'General case' 0 N--CA 1.48 1.036 0 O-C-N 124.879 1.362 . . . . 43.33 113.522 -171.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.563 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 88.4 t80 -96.2 138.66 33.48 Favored 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.192 -0.913 . . . . 74.35 109.27 -170.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -98.27 121.45 56.95 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 113.868 -1.514 . . . . 73.33 110.824 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . 0.448 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 47.4 Cg_endo -67.34 137.98 45.11 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.378 2.052 . . . . 72.43 110.372 164.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -80.59 -3.19 49.41 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.384 0.673 . . . . 74.25 112.639 -174.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 157' ' ' PRO . 25.6 p -62.44 -30.99 71.63 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 123.879 0.737 . . . . 74.23 110.075 169.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.8 -23.73 66.09 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 123.982 0.913 . . . . 72.11 112.549 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -92.45 1.62 57.14 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.282 1.033 . . . . 63.1 111.206 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.56 -32.71 6.69 Favored Glycine 0 C--N 1.353 1.512 0 N-CA-C 112.445 -0.262 . . . . 61.13 112.445 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -62.42 116.05 8.84 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 111.48 -0.648 . . . . 64.32 111.48 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 19.8 m -96.01 79.48 3.24 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.462 0.649 . . . . 71.41 109.359 -166.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -114.15 178.47 4.27 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 115.312 -0.858 . . . . 73.23 110.34 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 36.3 p -69.98 103.64 2.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.724 0.809 . . . . 72.03 111.976 -173.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 24.5 t -111.48 114.39 27.46 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.776 -1.194 . . . . 74.3 107.776 169.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.23 106.05 4.9 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.817 0.847 . . . . 75.04 109.817 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 57.8 mt -57.91 128.91 81.58 Favored Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 124.398 1.079 . . . . 74.22 109.837 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.92 158.36 57.69 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.878 2.386 . . . . 75.25 112.931 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -62.73 148.73 93.02 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.639 2.226 . . . . 71.3 112.234 167.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -57.05 -29.19 63.21 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.78 1.232 . . . . 71.01 113.191 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.29 -22.46 64.72 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.406 0.682 . . . . 74.45 111.341 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 102' ' ' LEU . 10.1 m120 -95.45 18.79 11.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.563 0.697 . . . . 74.24 110.347 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -86.72 109.01 18.93 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 107.316 -1.364 . . . . 72.1 107.316 169.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 58.1 t -87.47 112.31 47.42 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 124.685 1.194 . . . . 72.2 108.755 176.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -65.99 71.62 0.37 Allowed 'Trans proline' 0 C--N 1.371 1.758 0 C-N-CA 122.609 2.206 . . . . 73.01 112.414 166.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -155.21 148.77 25.22 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.338 1.455 . . . . 61.11 108.225 175.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -87.6 114.35 24.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.241 0.616 . . . . 74.3 109.645 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . 0.423 HG23 ' HB3' ' A' ' 151' ' ' PHE . 2.9 mp -107.06 96.15 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 N-CA-C 108.244 -1.021 . . . . 74.42 108.244 174.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 24.3 p -97.14 79.05 2.8 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.667 0.787 . . . . 73.45 109.961 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 C-N-CA 124.388 1.075 . . . . 61.44 108.465 173.171 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 tt . . . . . 0 CA--C 1.57 1.748 0 N-CA-C 109.421 -0.585 . . . . 72.44 109.421 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -77.83 126.47 8.06 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.188 1.926 . . . . 72.45 110.051 170.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -177.34 -54.94 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 126.384 1.873 . . . . 74.13 107.538 -171.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -84.52 35.98 0.56 Allowed 'Trans proline' 0 C--N 1.393 2.918 0 C-N-CA 122.285 1.99 . . . . 74.54 112.142 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 m -73.15 67.15 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 CA-C-O 123.877 1.799 . . . . 72.24 110.262 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t 171.52 103.69 0.01 OUTLIER 'General case' 0 C--O 1.241 0.655 0 CA-C-N 110.321 -3.127 . . . . 73.02 108.104 -173.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -40.91 148.04 0.11 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.792 0.837 . . . . 74.15 112.693 161.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 t -45.68 138.42 4.64 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 123.856 0.862 . . . . 74.12 110.183 171.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -49.78 -30.85 10.33 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 115.921 1.823 . . . . 70.43 115.921 -157.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -73.94 -43.33 58.64 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.695 0.398 . . . . 74.13 110.261 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -30.94 68.95 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.685 0.794 . . . . 61.53 110.965 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.544 ' O ' HG13 ' A' ' 19' ' ' ILE . 39.4 t90 -67.65 -50.21 59.03 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.753 0.821 . . . . 72.24 109.415 176.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.5 ttp85 -63.26 -35.87 81.78 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.921 0.488 . . . . 74.33 110.228 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.64 88.26 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.677 0.791 . . . . 63.34 111.248 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -66.34 -32.75 74.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.576 0.75 . . . . 75.42 111.208 174.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 15' ' ' TRP . 46.4 mt -73.76 -43.34 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 122.571 0.348 . . . . 74.2 110.674 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.17 -32.95 74.9 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.781 0.676 . . . . 75.54 110.655 173.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.01 -36.28 69.66 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.261 0.624 . . . . 74.33 111.109 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 8.1 m80 -71.82 -32.4 67.53 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.383 0.673 . . . . 65.31 110.172 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -67.34 -50.53 59.6 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.852 -0.796 . . . . 73.51 108.852 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.21 91.05 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.647 1.217 . . . . 74.44 111.063 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.44 -58.99 5.86 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.488 1.115 . . . . 74.42 111.441 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 63.5 mmtt -61.28 -43.1 99.43 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.197 0.311 . . . . 65.14 110.235 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -50.41 -55.26 16.57 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.638 1.175 . . . . 64.22 111.293 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -77.52 -27.61 51.76 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.527 -0.76 . . . . 75.1 111.229 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -56.91 -69.43 0.16 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 124.024 0.93 . . . . 75.12 111.2 -173.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.507 HD23 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.22 -10.18 59.5 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.191 0.441 . . . . 75.05 112.191 -177.572 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.46 -26.81 26.09 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 122.747 0.419 . . . . 64.3 111.206 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -113.52 -53.01 2.73 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 112.535 0.569 . . . . 61.23 112.535 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 135.87 57.79 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.471 0.708 . . . . 74.04 111.794 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.55 -16.95 37.74 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.538 0.94 . . . . 72.41 113.538 -173.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -69.92 -30.91 68.43 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 112.604 0.594 . . . . 74.32 112.604 -172.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.3 m -157.21 68.12 4.17 Favored Pre-proline 0 N--CA 1.486 1.372 0 N-CA-C 108.156 -1.053 . . . . 75.14 108.156 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -90.18 169.35 4.24 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 123.405 2.737 . . . . 65.25 113.264 -176.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.6 mt -73.01 135.86 80.02 Favored Pre-proline 0 CA--C 1.554 1.1 0 N-CA-C 108.482 -0.933 . . . . 74.13 108.482 169.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.485 ' HG3' ' HE1' ' A' ' 165' ' ' PHE . 21.3 Cg_exo -63.64 146.4 92.39 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.145 1.896 . . . . 74.12 111.242 172.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.436 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 21.0 Cg_endo -55.92 -22.58 38.78 Favored 'Trans proline' 0 C--N 1.383 2.387 0 C-N-CA 124.113 3.209 . . . . 74.42 115.437 -167.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.41 81.85 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.458 0.703 . . . . 74.12 112.562 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -89.87 -29.35 18.63 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.915 0.486 . . . . 74.43 110.544 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.436 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 48.8 ttt180 -66.19 -31.23 71.94 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.679 0.792 . . . . 71.51 111.85 -177.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.13 -41.84 78.9 Favored Glycine 0 C--N 1.347 1.186 0 N-CA-C 111.848 -0.501 . . . . 74.32 111.848 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.51 22.02 2.34 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.937 0.895 . . . . 74.14 112.19 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -82.8 113.16 20.25 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.186 0.594 . . . . 75.33 109.787 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -113.61 -11.43 13.0 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.243 0.617 . . . . 75.14 110.56 172.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.03 132.24 1.73 Allowed Glycine 0 C--N 1.344 0.985 0 N-CA-C 111.422 -0.671 . . . . 74.11 111.422 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.507 HD11 HD23 ' A' ' 30' ' ' LEU . 29.1 mt -62.6 140.9 58.68 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.828 0.37 . . . . 75.32 110.435 173.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -72.67 140.81 48.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.226 -0.897 . . . . 75.51 108.749 -169.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -142.89 142.2 31.7 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.712 -0.477 . . . . 73.04 109.712 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -88.24 169.0 12.24 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 108.335 -0.987 . . . . 73.4 108.335 169.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.9 137.96 52.06 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.565 -0.902 . . . . 74.0 108.565 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.3 mp -60.13 124.74 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 124.396 1.06 . . . . 74.54 109.906 -172.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -131.76 125.0 30.87 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.221 0.608 . . . . 74.23 110.12 -174.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.42 -19.22 50.52 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.129 0.972 . . . . 74.23 112.757 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 t -74.47 -23.47 58.88 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.884 0.474 . . . . 74.15 110.554 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 47.8 m-85 -74.39 -0.1 16.19 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 112.395 0.516 . . . . 74.11 112.395 172.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.478 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 41.1 ttp180 -98.0 104.69 16.74 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.923 0.783 . . . . 63.55 109.465 171.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.5 m -100.68 151.74 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 109.869 -0.419 . . . . 65.11 109.869 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.85 117.86 28.14 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.204 -1.036 . . . . 44.43 108.204 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 91' ' ' LEU . . . -112.26 128.65 56.32 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.615 0.766 . . . . 64.51 110.279 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -77.08 115.39 16.83 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.524 -0.917 . . . . 74.22 108.524 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -79.12 112.61 16.5 Favored 'General case' 0 C--O 1.254 1.298 0 C-N-CA 124.217 1.007 . . . . 74.01 109.447 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -112.47 104.03 55.75 Favored Pre-proline 0 CA--C 1.543 0.687 0 N-CA-C 107.965 -1.124 . . . . 75.53 107.965 172.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.91 137.48 81.18 Favored 'Trans proline' 0 C--N 1.372 1.776 0 C-N-CA 122.552 2.168 . . . . 73.44 111.171 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.57 98.57 0.52 Allowed 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.309 -0.997 . . . . 72.13 108.309 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -52.86 -32.99 47.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.957 1.303 . . . . 75.44 110.655 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -109.97 91.79 11.66 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.691 1.197 . . . . 75.4 109.153 169.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -83.23 120.72 2.96 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.019 1.813 . . . . 74.13 111.108 174.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.553 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 15.1 pt-20 -137.85 151.05 47.68 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.73 0.412 . . . . 70.01 110.783 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -80.72 109.57 15.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.817 0.847 . . . . 72.34 108.996 173.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 34.9 m -104.99 157.62 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.818 0.847 . . . . 71.41 109.845 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -98.42 109.41 22.17 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.655 0.782 . . . . 75.51 109.66 -176.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -102.64 117.54 34.9 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 106.85 -1.537 . . . . 71.45 106.85 174.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.13 160.8 14.6 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.039 0.536 . . . . 74.3 110.392 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.2 p -125.79 154.68 42.23 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.634 -0.506 . . . . 74.04 109.634 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.476 HG22 HD22 ' A' ' 169' ' ' LEU . 23.8 p -68.64 -30.05 68.67 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 115.725 -0.67 . . . . 70.24 109.756 175.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -75.46 -18.27 59.91 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.854 1.262 . . . . 74.42 112.062 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 142.55 -120.03 1.51 Allowed Glycine 0 C--N 1.353 1.485 0 CA-C-O 119.036 -0.869 . . . . 73.01 113.524 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -58.78 146.62 92.0 Favored 'Trans proline' 0 C--N 1.385 2.451 0 C-N-CA 123.846 3.031 . . . . 74.51 113.77 -171.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.55 164.9 32.59 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.914 2.409 . . . . 73.31 113.444 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.87 140.33 53.09 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.907 0.883 . . . . 71.21 110.247 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.547 ' HB2' ' HB1' ' A' ' 72' ' ' ALA . 9.4 pt-20 -84.05 122.03 28.23 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.073 0.549 . . . . 74.23 110.859 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.559 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 20.0 m-85 -124.92 133.89 52.87 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 108.273 -1.01 . . . . 75.4 108.273 173.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.7 m -79.41 146.85 32.58 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.087 -0.709 . . . . 75.44 109.087 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.553 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 24.3 mtm180 -80.97 109.39 15.5 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.342 0.519 . . . . 75.13 110.088 175.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' ' 106' ' ' ARG . . . -83.11 -51.76 7.23 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.639 0.775 . . . . 70.53 111.092 178.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.7 176.37 11.6 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.075 -0.966 . . . . 75.32 111.146 -169.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.3 t -134.96 117.05 21.45 Favored 'Isoleucine or valine' 0 C--O 1.248 1.026 0 N-CA-C 106.104 -1.813 . . . . 75.23 106.104 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . 3.1 mm? -89.67 116.38 27.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.671 0.789 . . . . 75.41 109.492 178.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.14 120.03 6.22 Favored Glycine 0 C--N 1.341 0.838 0 N-CA-C 110.048 -1.221 . . . . 51.11 110.048 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.42 ' HE1' ' HG ' ' A' ' 102' ' ' LEU . 26.8 p90 -150.09 -174.67 4.79 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.228 0.611 . . . . 74.33 109.363 -171.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -129.17 152.46 48.73 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.077 0.551 . . . . 73.32 109.623 170.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.496 HD23 HG13 ' A' ' 176' ' ' VAL . 33.3 tp -167.96 140.33 3.08 Favored 'General case' 0 C--O 1.252 1.197 0 N-CA-C 108.016 -1.105 . . . . 75.35 108.016 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.34 -101.92 1.54 Allowed Glycine 0 C--N 1.343 0.953 0 N-CA-C 110.889 -0.884 . . . . 61.21 110.889 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -133.62 3.51 3.56 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.399 1.08 . . . . 72.52 109.609 170.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.7 m -112.73 134.19 54.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.624 0.369 . . . . 61.11 111.547 -171.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -85.71 110.53 19.38 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 106.657 -1.609 . . . . 72.42 106.657 166.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -128.68 157.84 40.24 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.807 0.443 . . . . 74.31 109.906 -166.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 36.0 p -117.89 144.19 45.65 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.984 0.514 . . . . 73.51 110.536 174.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.42 ' HG ' ' HE1' ' A' ' 93' ' ' PHE . 88.8 mt -122.44 128.98 51.57 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.017 -1.105 . . . . 70.12 108.017 169.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.6 m -80.61 128.51 33.69 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.191 -0.67 . . . . 72.02 109.191 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.87 124.31 37.8 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.065 -1.087 . . . . 73.32 108.065 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.559 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 60.9 m-85 -101.53 135.51 42.92 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.05 0.54 . . . . 71.35 110.674 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.569 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 43.1 ttm180 -91.24 130.18 37.14 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.044 -1.095 . . . . 75.0 108.044 175.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 47.2 t -110.48 128.46 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 108.153 -1.054 . . . . 64.35 108.153 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.82 133.07 55.75 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.477 0.711 . . . . 75.45 110.486 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 84.67 -38.43 2.93 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-N 116.404 -0.362 . . . . 75.34 113.418 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.538 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 11.5 tp10 -85.96 119.59 26.43 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.772 0.829 . . . . 70.43 110.055 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.1 m -71.12 -24.73 62.34 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.866 0.866 . . . . 72.41 112.013 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 m -89.58 151.66 21.81 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.971 0.508 . . . . 64.41 110.624 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 75.8 mt -91.19 132.64 35.96 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.943 0.897 . . . . 75.31 110.002 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -91.78 104.35 16.81 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 107.368 -1.345 . . . . 72.02 107.368 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.9 t -102.34 95.13 5.53 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 108.077 -1.083 . . . . 72.35 108.077 176.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -82.82 132.01 6.33 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.316 2.011 . . . . 75.11 110.385 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.404 ' CZ ' ' HD2' ' A' ' 132' ' ' ARG . 29.2 p90 -153.08 159.79 42.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.361 0.6 . . . . 74.21 110.919 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.1 p -121.15 161.05 22.5 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.58 -1.191 . . . . 72.11 107.918 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 4.8 p-10 -150.99 -167.66 2.88 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.788 0.835 . . . . 54.55 109.067 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -68.06 -36.64 80.21 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.015 0.371 . . . . 75.42 111.494 -175.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.9 m -69.63 -27.71 65.29 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.453 0.701 . . . . 74.41 110.609 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.534 ' HA ' ' O ' ' A' ' 127' ' ' THR . 27.0 p -81.95 -39.15 24.12 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 116.017 -0.538 . . . . 72.4 110.523 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.47 -32.15 68.48 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.417 0.687 . . . . 64.22 111.269 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.76 -24.57 60.97 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.732 0.813 . . . . 75.32 111.444 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.54 ' HA2' ' HB2' ' A' ' 129' ' ' GLU . . . 82.17 3.85 90.42 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 116.33 1.292 . . . . 73.41 116.33 -177.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -92.57 -7.49 46.99 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 118.225 1.012 . . . . 73.24 112.198 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.534 ' O ' ' HA ' ' A' ' 122' ' ' THR . 85.3 m -147.94 129.3 14.8 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 118.131 -0.938 . . . . 73.42 108.944 171.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 33.0 54.09 0.39 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 126.111 1.764 . . . . 74.33 114.502 171.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.54 ' HB2' ' HA2' ' A' ' 125' ' ' GLY . 18.7 tt0 -55.07 -51.77 65.31 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.28 1.032 . . . . 74.11 113.054 -170.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -71.0 -8.63 54.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.619 0.768 . . . . 73.31 112.42 -175.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.01 148.1 4.67 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.806 -0.918 . . . . 43.43 110.806 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.404 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 14.8 ttm-85 -119.22 158.5 25.87 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 106.256 -1.757 . . . . 74.54 106.256 173.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -117.42 169.73 9.28 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.429 0.633 . . . . 71.31 109.94 170.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.483 HD13 HD23 ' A' ' 149' ' ' LEU . 2.9 tt -144.29 122.37 12.14 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 105.986 -1.857 . . . . 75.32 105.986 165.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 7.2 p-10 -89.47 110.5 21.32 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 107.699 -1.223 . . . . 72.11 107.699 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.5 t -101.8 127.52 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 108.921 -0.77 . . . . 64.11 108.921 -177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -81.88 112.08 31.99 Favored Pre-proline 0 C--O 1.241 0.632 0 N-CA-C 106.205 -1.776 . . . . 71.52 106.205 171.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -58.74 -29.6 90.12 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.644 2.229 . . . . 74.35 112.769 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 50.36 37.16 14.66 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.587 1.155 . . . . 74.52 111.814 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.71 45.06 55.08 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-N 115.241 -0.891 . . . . 72.01 114.435 -173.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -79.53 146.57 32.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.6 0.36 . . . . 60.1 110.688 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -129.29 -169.14 2.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.197 0.999 . . . . 73.44 109.947 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.66 99.03 0.23 Allowed Glycine 0 C--N 1.357 1.703 0 O-C-N 123.835 0.71 . . . . 72.25 113.872 -172.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 101.38 8.65 46.27 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-O 119.734 -0.481 . . . . 65.45 113.634 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -80.91 172.56 13.59 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 107.069 -1.456 . . . . 62.31 107.069 161.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -137.66 156.33 48.16 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.7 0.762 . . . . 74.33 111.001 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.24 172.82 15.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 114.503 -1.226 . . . . 70.44 109.041 -174.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.85 118.37 31.35 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 122.796 0.438 . . . . 73.23 110.424 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.483 HD23 HD13 ' A' ' 134' ' ' LEU . 14.3 mt -93.43 85.2 4.88 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 106.925 -1.509 . . . . 73.14 106.925 164.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 12.9 t0 -90.63 102.01 14.76 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.93 -1.032 . . . . 75.31 108.331 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 21.2 m-85 -73.55 -17.61 61.18 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.865 0.866 . . . . 74.24 111.327 -177.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . 0.417 ' ND2' HD11 ' A' ' 19' ' ' ILE . 6.3 t30 -71.33 -25.65 62.49 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.078 0.551 . . . . 70.34 109.912 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.536 HD11 HG12 ' A' ' 19' ' ' ILE . 3.1 mm? -106.54 19.2 20.86 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.871 0.868 . . . . 70.41 112.008 174.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.94 148.91 7.02 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.264 0.626 . . . . 72.54 112.309 171.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -100.1 162.08 13.2 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.741 0.816 . . . . 73.43 109.478 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -121.52 133.32 24.2 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 124.402 1.081 . . . . 75.23 112.158 -164.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -78.98 146.74 20.62 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.663 2.242 . . . . 72.14 112.106 168.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -81.03 -6.23 58.55 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 112.697 0.628 . . . . 74.53 112.697 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 48.7 t -69.07 -33.9 74.29 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.138 0.575 . . . . 75.11 109.534 168.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -82.48 11.23 5.86 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.459 1.104 . . . . 64.13 112.535 -175.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . 0.439 ' CE2' ' HG ' ' A' ' 30' ' ' LEU . 35.2 m-85 -101.66 12.29 37.42 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.796 0.838 . . . . 73.31 111.422 173.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 79.46 49.29 6.28 Favored Glycine 0 C--N 1.349 1.263 0 N-CA-C 111.4 -0.68 . . . . 75.24 111.4 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -160.5 172.58 36.92 Favored Glycine 0 C--N 1.343 0.93 0 CA-C-N 115.275 -0.462 . . . . 63.42 112.231 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 24.5 p -105.39 68.01 0.79 Allowed 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.993 0.902 . . . . 72.42 109.045 -173.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.485 ' HE1' ' HG3' ' A' ' 39' ' ' PRO . 71.9 m-85 -105.89 157.42 17.5 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.754 -1.112 . . . . 74.22 110.334 176.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.7 p -75.4 127.51 33.3 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.783 -1.099 . . . . 53.33 110.986 -174.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.1 p -134.85 123.93 24.26 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.188 -1.041 . . . . 73.2 108.188 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -68.07 99.34 0.86 Allowed 'General case' 0 C--O 1.244 0.764 0 N-CA-C 108.8 -0.815 . . . . 62.32 108.8 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.476 HD22 HG22 ' A' ' 78' ' ' THR . 82.1 mt -59.51 123.31 70.13 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.364 1.065 . . . . 74.24 110.096 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.71 142.83 78.47 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.398 2.065 . . . . 74.52 111.725 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.66 157.11 48.88 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.063 1.842 . . . . 61.31 111.456 168.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.6 66.68 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.979 0.912 . . . . 72.52 112.5 -176.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.16 -15.4 61.96 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.955 0.902 . . . . 64.3 111.227 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -96.69 28.62 3.33 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.909 0.883 . . . . 74.14 110.28 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -103.45 109.07 20.58 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.673 -0.492 . . . . 74.22 109.673 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.496 HG13 HD23 ' A' ' 95' ' ' LEU . 39.1 t -83.94 125.91 71.7 Favored Pre-proline 0 CA--C 1.547 0.836 0 N-CA-C 108.306 -0.998 . . . . 71.5 108.306 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -77.94 66.37 8.21 Favored 'Trans proline' 0 CA--C 1.555 1.572 0 C-N-CA 122.585 2.19 . . . . 73.21 111.899 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -152.0 149.51 28.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.138 0.975 . . . . 62.53 109.732 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.11 108.64 20.01 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.838 0.455 . . . . 70.41 110.375 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . 0.453 HG22 ' HB3' ' A' ' 151' ' ' PHE . 2.4 mp -98.28 96.54 5.24 Favored 'Isoleucine or valine' 0 C--O 1.244 0.797 0 N-CA-C 108.022 -1.103 . . . . 74.51 108.022 178.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 61.3 p -94.99 76.27 3.53 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.516 -0.765 . . . . 73.01 111.053 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.599 0 CA-C-N 114.896 -1.047 . . . . 72.01 108.203 172.075 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.8 mt . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 110.359 -0.237 . . . . 73.33 110.359 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.509 ' HG3' ' HB2' ' A' ' 141' ' ' ALA . 52.9 Cg_endo -69.59 127.39 14.66 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 122.574 2.183 . . . . 72.32 110.602 178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -177.18 -56.25 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.41 0 C-N-CA 125.498 1.519 . . . . 74.13 108.479 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -89.44 25.58 0.59 Allowed 'Trans proline' 0 C--N 1.398 3.134 0 C-N-CA 122.265 1.977 . . . . 71.51 111.853 174.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.7 -19.07 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.799 0.84 . . . . 72.33 111.284 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 t -83.42 79.66 9.34 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 106.455 -1.683 . . . . 75.54 106.455 157.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 2.2 t0 -33.22 163.36 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 127.493 2.317 . . . . 74.13 116.072 -175.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -55.08 132.15 46.63 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.303 -0.862 . . . . 74.3 109.004 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -40.94 -37.16 0.75 Allowed 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 115.493 1.664 . . . . 73.14 115.493 -162.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.06 -59.11 5.24 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.533 0.733 . . . . 70.32 110.571 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -72.84 -22.99 60.71 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 114.989 -1.005 . . . . 52.51 111.081 -178.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.425 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 46.0 t90 -67.52 -47.71 69.13 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.338 1.055 . . . . 73.02 109.852 174.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 19' ' ' ILE . 21.6 ttt180 -67.35 -27.93 67.54 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.564 -0.744 . . . . 74.42 109.807 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.9 78.1 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 122.999 0.52 . . . . 74.52 112.325 168.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 26.8 mmt180 -60.46 -46.2 90.93 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 109.528 -0.545 . . . . 72.0 109.528 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.596 HG12 ' HG ' ' A' ' 153' ' ' LEU . 73.6 mt -57.06 -53.48 42.68 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-N 114.318 -1.31 . . . . 73.43 109.892 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.96 75.55 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.033 0.833 . . . . 61.21 111.844 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.38 -50.87 62.05 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.273 0.629 . . . . 73.32 111.262 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -63.8 -47.56 80.38 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.047 0.539 . . . . 63.4 111.497 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -47.95 -58.38 4.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.661 1.585 . . . . 72.33 111.285 172.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.01 -34.82 71.71 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.881 0.738 . . . . 63.32 111.763 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.47 -52.78 63.11 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.345 0.658 . . . . 75.42 110.924 174.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -72.58 -20.53 61.29 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.718 -0.674 . . . . 75.25 111.064 -177.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.62 -47.58 59.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.283 1.033 . . . . 75.02 110.074 172.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -85.71 -12.69 50.52 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.879 -0.601 . . . . 70.53 112.259 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 81.0 t80 -56.29 -42.32 77.35 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.175 0.59 . . . . 75.32 112.356 -177.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.683 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -90.15 -16.31 29.81 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.457 0.54 . . . . 73.23 112.457 177.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -58.73 2.44 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.892 0.477 . . . . 53.13 111.487 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -91.73 -59.14 2.2 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.817 0.847 . . . . 74.23 110.746 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.477 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 80.3 m80 -55.3 122.83 12.0 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 123.658 0.783 . . . . 71.14 111.488 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -72.48 -6.11 41.48 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.352 1.061 . . . . 71.33 112.267 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -59.26 -29.29 67.45 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.241 1.016 . . . . 73.4 112.625 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -157.42 77.05 3.88 Favored Pre-proline 0 CA--C 1.553 1.062 0 N-CA-C 108.984 -0.747 . . . . 75.13 108.984 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.16 124.49 14.47 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.541 2.161 . . . . 75.24 112.047 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.683 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 17.2 tt -72.72 140.28 81.21 Favored Pre-proline 0 CA--C 1.556 1.194 0 CA-C-O 118.511 -0.757 . . . . 75.31 109.695 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -54.66 145.63 58.58 Favored 'Trans proline' 0 C--N 1.388 2.653 0 C-N-CA 122.806 2.337 . . . . 74.21 112.047 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -54.63 -24.91 39.1 Favored 'Trans proline' 0 C--N 1.384 2.404 0 C-N-CA 123.822 3.015 . . . . 73.5 113.885 -174.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.87 -50.7 72.35 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.53 0.732 . . . . 70.43 111.215 176.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -90.2 -21.9 21.95 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.778 -0.646 . . . . 74.45 111.373 -175.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -60.03 -40.58 89.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.015 0.526 . . . . 75.41 110.055 166.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.26 -41.94 58.45 Favored Glycine 0 C--N 1.347 1.189 0 CA-C-N 115.737 -0.665 . . . . 74.33 112.183 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.0 18.38 2.52 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.853 0.861 . . . . 73.12 112.732 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -74.4 101.54 4.13 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.789 0.836 . . . . 73.32 109.779 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -121.92 -27.6 4.59 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.793 0.837 . . . . 53.4 109.568 170.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.2 125.8 0.86 Allowed Glycine 0 C--N 1.342 0.892 0 N-CA-C 110.087 -1.205 . . . . 61.34 110.087 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.439 ' HG ' HD22 ' A' ' 30' ' ' LEU . 4.1 mm? -85.31 -175.27 5.63 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.506 0.723 . . . . 71.51 111.508 -174.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.595 ' HB2' HD22 ' A' ' 156' ' ' ASN . 9.6 mmm-85 -88.0 114.33 24.51 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.193 0.52 . . . . 74.43 111.129 -165.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -163.49 135.46 5.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.663 1.585 . . . . 73.04 107.871 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -75.72 159.66 30.86 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.147 0.579 . . . . 75.15 111.204 -173.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -75.02 158.21 33.58 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.735 -0.666 . . . . 74.04 110.35 -174.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.12 134.4 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.936 0.894 . . . . 75.12 110.918 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -162.72 121.24 2.13 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.147 0.579 . . . . 74.53 109.996 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.74 -5.99 56.35 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.14 0.976 . . . . 75.24 112.553 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.9 m -70.99 -50.5 33.57 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.497 0.319 . . . . 75.4 111.435 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.752 ' HB2' ' HB2' ' A' ' 152' ' ' ASN . 94.8 m-85 -88.16 27.78 1.16 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.874 0.694 . . . . 74.24 112.874 -171.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 32.7 ptt180 -104.94 97.56 7.41 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.51 -0.922 . . . . 75.0 108.51 169.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -102.63 178.55 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.999 -0.741 . . . . 75.52 108.999 178.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.15 138.52 54.15 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.88 -0.785 . . . . 73.52 108.88 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.83 145.2 49.89 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.291 1.037 . . . . 74.52 109.204 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -75.98 126.16 30.47 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.468 -0.568 . . . . 74.13 109.468 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 145' ' ' ASP . 35.7 t80 -84.76 120.87 26.92 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 123.932 0.893 . . . . 71.34 108.615 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -115.77 99.27 52.37 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.432 1.093 . . . . 65.24 108.083 174.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -66.12 141.15 62.33 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.464 2.109 . . . . 73.51 111.136 -175.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 95.74 0.68 Allowed 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.664 -0.865 . . . . 73.12 108.664 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -59.35 -27.16 65.68 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.584 1.153 . . . . 75.21 111.365 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -136.35 88.48 20.72 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 123.781 0.832 . . . . 71.23 108.846 170.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -79.82 148.59 20.03 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 123.031 2.488 . . . . 73.02 112.827 -175.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 158.2 44.13 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.447 0.699 . . . . 73.51 110.984 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.51 113.01 24.34 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.614 0.766 . . . . 75.21 109.863 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 14.0 m -105.0 154.1 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 124.23 1.012 . . . . 74.31 108.711 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -106.24 128.01 53.64 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 109.223 -0.658 . . . . 71.52 109.223 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.514 ' HB2' ' HB3' ' A' ' 168' ' ' ALA . 1.3 mm? -114.22 122.88 48.11 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 106.937 -1.505 . . . . 74.13 106.937 175.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.76 149.4 44.05 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 109.844 -0.428 . . . . 73.32 109.844 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 167' ' ' CYS . 58.3 p -119.31 164.35 15.81 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 120.887 0.375 . . . . 70.34 111.359 -173.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.7 p -77.26 -26.28 52.34 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.398 -0.819 . . . . 71.02 110.015 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.549 ' HB2' ' HA ' ' A' ' 166' ' ' SER . 23.4 tpt180 -71.86 -31.43 66.46 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.641 1.176 . . . . 73.32 112.249 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.99 -122.07 1.41 Allowed Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.414 -1.214 . . . . 74.32 111.907 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.37 151.45 44.79 Favored 'Trans proline' 0 C--N 1.384 2.407 0 C-N-CA 123.541 2.827 . . . . 74.12 112.534 -178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.29 157.76 56.0 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.604 2.203 . . . . 73.32 112.903 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.4 123.72 48.35 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.143 0.977 . . . . 60.31 108.587 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 38.2 mt-10 -88.86 122.81 32.63 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.784 0.434 . . . . 74.42 111.004 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.705 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 61.9 m-85 -122.38 134.34 54.62 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.736 1.214 . . . . 74.43 108.128 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -86.02 132.22 34.1 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 108.474 -0.935 . . . . 70.2 108.474 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -68.79 114.17 6.89 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.838 -0.43 . . . . 74.35 109.838 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.497 ' HB3' ' HB2' ' A' ' 106' ' ' ARG . . . -81.83 -50.27 9.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.636 0.774 . . . . 74.21 111.345 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -163.18 177.46 9.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.538 -0.755 . . . . 74.35 110.591 -171.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.522 HG13 HG21 ' A' ' 101' ' ' THR . 3.0 t -134.06 125.2 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 N-CA-C 107.722 -1.214 . . . . 73.13 107.722 172.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -98.14 121.81 40.51 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.821 0.848 . . . . 74.21 111.191 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.8 122.6 7.63 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 111.602 -0.599 . . . . 75.4 111.602 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.61 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 31.5 p90 -144.78 172.44 13.0 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 117.417 0.608 . . . . 72.4 110.911 -176.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -111.98 149.76 31.52 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.324 1.05 . . . . 71.45 108.64 171.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.43 HD12 HG11 ' A' ' 176' ' ' VAL . 1.0 OUTLIER -166.61 117.29 0.94 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 107.695 -1.224 . . . . 75.21 107.695 -179.009 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.14 -111.43 4.01 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.237 0.335 . . . . 64.51 112.949 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.34 19.74 13.94 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.157 0.983 . . . . 74.1 109.279 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.7 m -122.38 127.98 50.39 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.384 0.674 . . . . 71.21 111.497 -175.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -96.03 112.06 23.9 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 105.794 -1.928 . . . . 73.1 105.794 161.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -130.66 150.25 51.94 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.822 -0.549 . . . . 73.54 109.83 -168.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.522 HG21 HG13 ' A' ' 90' ' ' VAL . 0.3 OUTLIER -120.39 129.65 54.03 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 106.467 -1.679 . . . . 73.22 106.467 -178.463 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.61 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 9.6 tp -117.96 129.28 55.51 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.606 0.762 . . . . 73.15 108.958 -166.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.7 m -84.24 116.46 22.97 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 109.511 -0.552 . . . . 72.0 109.511 -173.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.01 124.62 40.1 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.467 1.107 . . . . 62.54 108.662 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.705 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 38.6 m-85 -99.63 168.87 9.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.424 0.631 . . . . 74.24 110.216 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.497 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 33.5 ttm180 -116.08 133.16 56.33 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.682 1.193 . . . . 65.3 108.333 -171.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.9 m -128.16 132.13 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.221 -1.029 . . . . 74.51 108.221 167.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -89.66 162.25 15.69 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.273 0.629 . . . . 70.13 110.058 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 75.5 -40.91 1.34 Allowed Glycine 0 CA--C 1.536 1.348 0 CA-C-N 115.757 -0.656 . . . . 71.44 112.354 -164.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -79.31 128.82 33.8 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.759 0.823 . . . . 71.34 108.905 162.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.2 m -79.24 -4.49 50.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.852 0.461 . . . . 74.24 110.917 166.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.6 m -93.44 144.55 25.24 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.843 0.857 . . . . 73.41 110.53 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.501 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 56.5 mt -89.04 139.25 30.65 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.104 0.962 . . . . 74.5 108.976 175.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.77 106.43 18.42 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.035 -1.098 . . . . 73.4 108.035 -176.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.66 95.48 27.99 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 123.718 0.807 . . . . 73.54 109.071 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -86.87 132.36 3.36 Favored 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 122.793 2.329 . . . . 73.21 110.936 171.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.416 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 42.2 p90 -146.33 167.95 22.29 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.572 0.349 . . . . 75.33 110.393 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.8 p -130.28 152.95 49.14 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 109.326 -0.62 . . . . 74.31 109.326 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -145.97 -168.91 3.11 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.406 0.682 . . . . 73.24 110.632 -173.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.54 -22.87 40.43 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.193 0.442 . . . . 74.42 112.193 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.26 -32.29 66.54 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.64 0.376 . . . . 63.23 110.006 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.3 p -66.59 -37.72 85.52 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 122.774 0.429 . . . . 71.03 110.267 171.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.19 -40.39 89.85 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.111 0.564 . . . . 75.44 111.338 174.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.96 -26.52 62.3 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.04 0.536 . . . . 73.53 111.278 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.39 -0.02 89.85 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 114.83 0.692 . . . . 73.31 114.83 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -77.02 -5.88 50.5 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 117.896 0.848 . . . . 72.13 110.976 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 68.3 p -127.59 158.99 36.0 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 107.582 -1.266 . . . . 75.02 107.582 160.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.431 ' CG ' ' HB3' ' A' ' 160' ' ' ALA . 33.1 t80 -54.78 113.33 1.28 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.934 0.494 . . . . 75.23 110.908 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -23.1 63.6 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 114.75 -1.113 . . . . 74.34 113.559 -163.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -70.79 -12.98 61.87 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.167 0.432 . . . . 73.14 112.167 -177.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.67 171.41 18.16 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-O 121.435 0.464 . . . . 75.31 113.831 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -116.05 156.35 26.49 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.618 1.567 . . . . 74.25 109.453 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.577 ' HH ' ' HB1' ' A' ' 168' ' ' ALA . 11.4 m-85 -121.06 157.34 30.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.616 1.566 . . . . 74.52 109.151 168.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.416 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 1.9 tt -151.66 129.98 12.04 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 106.808 -1.552 . . . . 75.53 106.808 169.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.29 116.62 29.83 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 107.202 -1.407 . . . . 75.43 107.202 175.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.28 123.41 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 109.318 -0.623 . . . . 72.31 109.318 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -82.93 118.16 70.85 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 107.512 -1.292 . . . . 74.44 107.512 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.501 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 26.8 Cg_endo -60.42 -25.79 81.24 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 122.746 2.297 . . . . 71.03 112.934 -176.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 5' ' ' PRO . . . 49.62 37.48 12.75 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.594 1.158 . . . . 74.25 113.017 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 54.48 37.15 59.73 Favored Glycine 0 C--N 1.352 1.417 0 N-CA-C 115.155 0.822 . . . . 74.24 115.155 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.509 ' HB2' ' HG3' ' A' ' 5' ' ' PRO . . . -79.5 152.76 30.02 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.942 0.497 . . . . 71.12 111.224 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -131.65 -164.96 1.51 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.62 0.768 . . . . 74.44 109.168 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.73 93.76 0.04 OUTLIER Glycine 0 C--N 1.356 1.652 0 O-C-N 124.183 0.927 . . . . 52.32 113.643 -173.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.89 4.8 31.44 Favored Glycine 0 C--N 1.35 1.313 0 N-CA-C 114.753 0.661 . . . . 72.01 114.753 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 22.1 m-20 -92.41 131.98 37.13 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 106.926 -1.509 . . . . 72.11 106.926 173.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -99.71 145.34 27.75 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.301 0.955 . . . . 75.13 111.375 -171.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.99 160.48 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.245 1.018 . . . . 65.24 108.918 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.82 120.4 24.02 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.886 0.475 . . . . 70.33 111.283 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.2 mt -99.76 86.33 3.29 Favored 'General case' 0 C--O 1.247 0.93 0 C-N-CA 124.029 0.932 . . . . 74.11 108.925 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.438 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 3.2 m-20 -78.68 92.86 4.81 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 114.925 -1.034 . . . . 73.02 109.283 173.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.566 ' HB3' HG21 ' A' ' 180' ' ' ILE . 20.6 m-85 -75.68 -22.67 56.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.671 0.388 . . . . 75.24 111.074 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . 0.752 ' HB2' ' HB2' ' A' ' 58' ' ' PHE . 25.2 t30 -63.9 -37.68 88.29 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.871 -0.604 . . . . 74.33 110.507 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.596 ' HG ' HG12 ' A' ' 19' ' ' ILE . 1.9 mm? -100.83 14.48 31.58 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.103 -0.953 . . . . 72.52 110.832 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.09 135.0 54.0 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 108.373 -0.973 . . . . 74.54 108.373 167.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -99.2 159.61 14.86 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.411 0.624 . . . . 73.43 109.344 -169.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . 0.595 HD22 ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -97.5 142.26 24.28 Favored Pre-proline 0 C--N 1.312 -1.023 0 N-CA-C 108.145 -1.057 . . . . 71.22 108.145 169.546 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . 0.406 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 99.9 Cg_exo -48.9 153.83 3.57 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 123.618 2.879 . . . . 74.43 114.535 176.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -64.93 -17.18 64.13 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 113.928 1.084 . . . . 75.25 113.928 -174.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 37.1 t -70.47 -11.36 60.87 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 122.983 0.513 . . . . 74.11 111.256 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.431 ' HB3' ' CG ' ' A' ' 128' ' ' TYR . . . -92.32 -0.12 57.41 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.028 0.931 . . . . 71.25 112.003 176.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -93.47 3.96 54.72 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.558 0.743 . . . . 74.45 109.66 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 119.33 -27.14 7.1 Favored Glycine 0 C--N 1.356 1.649 0 CA-C-N 115.502 -0.772 . . . . 71.21 112.281 172.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -97.64 -175.52 33.94 Favored Glycine 0 C--N 1.349 1.25 0 C-N-CA 122.91 0.291 . . . . 71.35 112.957 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 16.4 m -112.41 78.22 1.11 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.967 0.907 . . . . 71.33 109.182 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.572 ' HZ ' ' HA ' ' A' ' 38' ' ' ILE . 98.3 m-85 -96.49 176.53 6.0 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.003 0.521 . . . . 75.23 111.122 -177.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.549 ' HA ' ' HB2' ' A' ' 79' ' ' ARG . 56.2 p -74.46 111.21 9.42 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.469 0.708 . . . . 64.42 111.093 -178.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 77' ' ' THR . 39.0 m -126.6 111.52 14.44 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 108.695 -0.854 . . . . 43.32 108.695 178.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.577 ' HB1' ' HH ' ' A' ' 133' ' ' TYR . . . -78.25 106.6 10.27 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 109.273 -0.64 . . . . 73.44 109.273 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 61.8 mt -59.85 127.27 85.16 Favored Pre-proline 0 CA--C 1.55 0.946 0 O-C-N 124.544 1.152 . . . . 75.12 110.069 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -67.9 151.92 77.67 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.92 2.413 . . . . 71.4 112.902 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -67.08 157.08 63.47 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 122.585 2.19 . . . . 72.21 111.47 168.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.02 65.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.276 0.63 . . . . 55.42 111.281 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.58 -22.51 66.13 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.423 1.089 . . . . 73.24 111.066 172.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -99.56 19.0 16.55 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.951 0.901 . . . . 72.23 110.335 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -93.05 118.75 31.54 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.396 -0.594 . . . . 74.24 109.396 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.43 HG11 HD12 ' A' ' 95' ' ' LEU . 40.7 t -96.36 121.02 61.33 Favored Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 107.602 -1.258 . . . . 73.44 107.602 171.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -78.65 61.43 7.99 Favored 'Trans proline' 0 C--N 1.372 1.796 0 C-N-CA 122.825 2.35 . . . . 74.1 112.016 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -151.59 145.72 25.32 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.937 1.295 . . . . 75.33 108.435 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -93.15 118.29 31.06 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.139 0.576 . . . . 74.01 109.75 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . 0.566 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -96.97 93.64 3.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 N-CA-C 106.526 -1.657 . . . . 72.14 106.526 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 20.8 p -89.21 78.29 7.34 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.62 0.724 . . . . 72.34 110.846 -174.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 106.159 -1.793 . . . . 71.53 106.159 173.387 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.244 0.795 0 N-CA-C 108.132 -1.062 . . . . 74.04 108.132 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.81 122.79 8.83 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.969 1.779 . . . . 74.34 111.209 -176.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 51.6 mt -161.08 -56.95 0.02 OUTLIER Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.427 1.491 . . . . 71.34 107.731 -179.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 28.8 Cg_endo -88.5 30.69 0.42 Allowed 'Trans proline' 0 C--N 1.403 3.445 0 C-N-CA 121.94 1.76 . . . . 73.35 112.57 174.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 m -58.58 -33.3 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 108.924 -0.769 . . . . 71.14 108.924 167.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.433 HG21 ' HD2' ' A' ' 59' ' ' ARG . 10.2 t -91.95 96.4 10.35 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 107.783 -1.191 . . . . 74.42 107.783 163.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.1 m-20 -39.47 159.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 115.536 1.68 . . . . 62.41 115.536 174.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -49.96 138.84 14.75 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 114.571 -1.195 . . . . 74.11 110.428 169.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -43.73 -39.06 3.49 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 114.742 1.386 . . . . 74.53 114.742 -167.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.68 -57.35 13.05 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.699 0.761 . . . . 71.31 110.621 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -69.78 -25.09 63.63 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 114.442 -1.254 . . . . 63.11 111.865 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.487 ' O ' HG13 ' A' ' 19' ' ' ILE . 31.7 t90 -75.98 -47.94 23.03 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.364 1.066 . . . . 71.54 109.923 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -58.98 -36.0 74.13 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.714 0.633 . . . . 65.2 109.939 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.56 83.1 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 123.762 0.664 . . . . 74.22 112.054 172.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 2.8 mmp_? -58.6 -48.35 81.26 Favored 'General case' 0 C--N 1.371 1.527 0 N-CA-C 109.699 -0.482 . . . . 74.41 109.699 174.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 15' ' ' TRP . 25.0 mt -65.77 -50.89 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 124.121 0.888 . . . . 74.12 110.794 -176.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 -49.55 71.59 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.048 0.939 . . . . 71.42 112.043 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.72 -45.4 75.18 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.844 0.458 . . . . 75.51 110.946 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.47 -48.78 79.55 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.622 0.769 . . . . 72.21 111.217 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 13.9 ptt180 -70.54 -35.99 73.43 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 119.0 -0.524 . . . . 74.33 110.744 -175.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.52 81.98 Favored 'General case' 0 C--N 1.359 0.984 0 O-C-N 123.581 0.551 . . . . 75.01 110.821 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.27 -47.55 85.52 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.737 1.215 . . . . 73.04 110.116 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 158' ' ' PHE . 42.8 mmtm -79.19 -16.34 56.72 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.87 -1.059 . . . . 74.12 112.219 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 23' ' ' ARG . 7.4 t70 -77.0 -45.78 26.14 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 110.11 -0.33 . . . . 65.11 110.11 174.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.18 -27.94 61.05 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 115.726 -0.67 . . . . 75.11 110.105 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -40.44 -64.33 0.53 Allowed 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.954 1.701 . . . . 75.21 113.53 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.458 ' H ' HD11 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -58.32 -19.71 37.18 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 112.47 0.544 . . . . 72.42 112.47 -174.305 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.79 -42.99 8.83 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.248 0.619 . . . . 62.5 111.419 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.6 p -100.29 12.7 36.5 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.549 1.139 . . . . 74.14 112.191 -170.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -144.56 132.99 21.95 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.668 -0.696 . . . . 75.33 111.069 -175.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.35 -8.3 59.63 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.302 -1.317 . . . . 63.13 110.695 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -60.51 -36.54 78.59 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 123.7 0.8 . . . . 71.12 110.78 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.1 m -157.64 79.23 3.44 Favored Pre-proline 0 CA--C 1.549 0.939 0 N-CA-C 107.541 -1.281 . . . . 72.45 107.541 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -78.79 153.01 25.71 Favored 'Trans proline' 0 C--N 1.374 1.881 0 C-N-CA 122.885 2.39 . . . . 75.32 113.222 -171.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.8 tt -95.55 135.26 23.25 Favored Pre-proline 0 CA--C 1.565 1.532 0 CA-C-N 114.817 -1.083 . . . . 64.23 108.159 172.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.09 149.81 51.36 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 123.624 2.882 . . . . 73.25 112.901 -175.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.82 -31.6 26.84 Favored 'Trans proline' 0 C--N 1.384 2.397 0 C-N-CA 124.406 3.404 . . . . 73.3 114.818 -171.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.23 -47.27 65.21 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.83 0.452 . . . . 74.42 111.291 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -81.88 -24.02 35.96 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.731 0.413 . . . . 71.11 109.974 -177.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -68.57 -34.91 76.64 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.109 0.964 . . . . 73.53 110.762 170.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.97 -42.0 60.47 Favored Glycine 0 C--N 1.347 1.176 0 N-CA-C 111.356 -0.698 . . . . 75.35 111.356 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.54 14.04 10.74 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.512 0.725 . . . . 73.0 112.058 176.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -73.0 117.31 14.57 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 121.452 0.644 . . . . 73.54 110.834 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -116.49 -63.14 1.49 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.101 -1.409 . . . . 73.43 107.904 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.68 148.56 7.93 Favored Glycine 0 C--N 1.341 0.857 0 CA-C-N 115.318 -0.855 . . . . 63.51 111.805 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -87.31 151.01 23.47 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.492 0.717 . . . . 72.52 110.241 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -79.2 148.36 32.29 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.642 -0.708 . . . . 70.24 110.317 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -129.24 131.41 47.04 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 108.013 -1.106 . . . . 74.25 108.013 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -65.55 162.06 18.91 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.121 0.569 . . . . 74.32 109.911 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.87 122.05 16.84 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.855 0.862 . . . . 73.4 110.781 -173.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 19' ' ' ILE . 38.9 mt -67.61 112.32 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 124.013 0.925 . . . . 64.31 110.071 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -113.74 130.01 56.49 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.275 -0.875 . . . . 73.53 111.002 -168.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.69 -27.01 45.02 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.14 0.976 . . . . 64.44 112.527 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.9 t -73.37 -18.56 61.15 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.602 0.361 . . . . 71.24 111.094 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -89.48 18.31 5.44 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.888 0.475 . . . . 74.1 111.044 172.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.474 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 53.3 ttp180 -105.48 92.02 4.02 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.972 -1.121 . . . . 74.4 107.972 167.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.5 m -98.96 157.62 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 116.006 -0.543 . . . . 75.23 110.451 -174.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.16 119.9 30.87 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 108.667 -0.864 . . . . 54.44 108.667 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.629 ' HB2' ' HB3' ' A' ' 91' ' ' LEU . . . -111.99 122.64 48.32 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.621 0.768 . . . . 74.04 110.474 -173.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 63' ' ' ARG . 21.3 mmt180 -74.39 110.84 9.01 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.507 0.67 . . . . 74.51 109.676 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.59 ' HH ' ' HB3' ' A' ' 138' ' ' PRO . 26.7 t80 -79.89 112.19 16.94 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 114.301 -1.318 . . . . 75.31 109.254 -173.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -105.34 100.95 28.39 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 108.226 -1.027 . . . . 75.23 108.226 172.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.62 137.54 64.65 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 121.911 1.74 . . . . 73.4 109.735 175.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.7 103.19 0.66 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.4 -0.592 . . . . 63.11 109.4 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -55.64 -31.54 62.41 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 113.748 -1.569 . . . . 74.43 110.425 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.85 101.33 12.84 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 124.263 1.025 . . . . 73.43 109.423 165.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.12 122.03 7.32 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.524 2.149 . . . . 71.21 111.923 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.8 149.0 50.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.225 0.61 . . . . 75.34 110.263 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.41 115.58 20.82 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.041 0.936 . . . . 73.13 109.442 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 11.7 m -106.71 161.88 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.407 1.083 . . . . 75.22 109.792 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -98.52 113.72 25.85 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.262 1.025 . . . . 73.35 110.15 -177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 170' ' ' PRO . 1.9 mm? -104.03 133.61 48.69 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 106.597 -1.631 . . . . 72.44 106.597 168.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.51 162.0 28.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 117.8 0.273 . . . . 71.32 110.424 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.9 p -136.36 163.07 31.31 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.962 0.41 . . . . 73.22 109.999 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.0 p -103.43 -8.63 20.03 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.099 0.959 . . . . 72.25 110.295 173.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HB2' ' HA ' ' A' ' 166' ' ' SER . 14.8 tpt180 -73.57 -33.7 64.78 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.942 0.897 . . . . 73.04 111.535 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.32 -120.37 1.06 Allowed Glycine 0 C--N 1.344 1.019 0 CA-C-O 118.484 -1.176 . . . . 74.02 111.137 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -56.73 138.22 84.39 Favored 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 123.386 2.724 . . . . 64.34 112.164 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -63.33 164.46 20.2 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.519 2.146 . . . . 75.12 113.178 -176.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.55 126.25 52.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.293 1.037 . . . . 74.01 111.044 -173.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 45.3 mt-10 -83.21 128.39 34.45 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.614 0.766 . . . . 73.35 109.963 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.494 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 53.5 m-85 -132.62 139.77 47.91 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 108.99 -0.745 . . . . 75.24 108.99 175.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.3 m -95.48 125.37 40.04 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.086 -0.709 . . . . 63.14 109.086 -175.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -73.75 115.69 13.47 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.365 -0.606 . . . . 74.24 109.365 -177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -98.57 -33.25 11.06 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.363 0.665 . . . . 64.34 110.636 -177.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.33 167.68 25.43 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.607 -0.724 . . . . 72.05 110.865 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.7 t -138.48 117.49 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.222 1.409 . . . . 74.33 107.947 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.629 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . 1.9 mm? -93.55 131.94 38.33 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.24 0.616 . . . . 74.4 111.145 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.82 114.7 3.4 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 110.784 -0.926 . . . . 63.12 110.784 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.43 ' HE2' HD11 ' A' ' 95' ' ' LEU . 24.7 p90 -146.86 140.83 26.02 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.694 0.798 . . . . 74.43 109.855 -166.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 4.1 m-20 -81.36 146.98 30.05 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.81 0.444 . . . . 72.21 110.022 172.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.449 HD13 HG13 ' A' ' 176' ' ' VAL . 2.0 tt -158.37 127.34 5.58 Favored 'General case' 0 C--O 1.249 1.029 0 N-CA-C 107.085 -1.45 . . . . 70.41 107.085 -174.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.67 -91.94 1.09 Allowed Glycine 0 C--N 1.351 1.404 0 N-CA-C 109.762 -1.335 . . . . 41.41 109.762 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -133.51 -15.57 2.44 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.121 1.369 . . . . 74.11 110.477 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.9 m -117.96 147.56 43.04 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.979 0.419 . . . . 75.1 111.569 -165.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 20.6 p-80 -84.69 123.05 29.94 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 108.712 -0.847 . . . . 64.0 108.712 174.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -116.74 149.96 39.03 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.656 1.582 . . . . 74.42 109.001 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 m -129.2 126.74 39.85 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.94 -0.763 . . . . 71.42 108.94 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.8 tp -132.68 141.42 48.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.489 0.716 . . . . 71.33 109.37 -165.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.5 m -93.4 132.05 38.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.953 0.406 . . . . 74.02 111.007 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.505 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -106.02 116.94 32.8 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.259 1.024 . . . . 74.15 108.768 177.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 38.8 m-85 -93.84 171.54 8.8 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.399 0.619 . . . . 74.33 111.64 -175.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.552 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 48.2 ttt180 -116.35 119.1 34.61 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.811 1.244 . . . . 74.22 107.894 -172.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 54.6 t -109.9 124.03 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.776 0.83 . . . . 75.33 109.179 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.31 143.05 56.38 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.961 0.504 . . . . 74.45 110.013 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 83.7 -31.02 3.37 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-O 120.009 -0.328 . . . . 73.01 113.495 -174.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -106.12 121.9 45.09 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.887 0.875 . . . . 72.5 110.427 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.5 m -77.86 -11.28 59.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.702 0.801 . . . . 70.01 112.07 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.5 m -87.17 145.76 26.28 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.092 0.557 . . . . 74.44 110.043 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.447 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 53.1 mt -82.3 127.34 33.12 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.066 0.946 . . . . 73.44 108.545 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.89 113.02 24.53 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.817 -1.179 . . . . 63.14 107.817 -172.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 104' ' ' ALA . 21.6 t -110.04 98.2 33.51 Favored Pre-proline 0 N--CA 1.475 0.779 0 C-N-CA 123.493 0.717 . . . . 75.41 109.391 -177.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -84.59 123.67 2.96 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 123.373 2.716 . . . . 53.02 109.944 168.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -148.48 166.11 29.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.482 0.658 . . . . 74.43 110.416 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.5 p -128.19 163.12 25.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.559 -1.2 . . . . 73.31 107.851 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -160.02 -166.15 1.65 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.105 0.562 . . . . 62.02 109.873 -174.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -77.75 -27.31 50.36 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 111.94 0.348 . . . . 72.33 111.94 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.7 m -77.6 -35.07 53.25 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.406 0.682 . . . . 61.52 112.126 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 23.7 p -66.42 -36.3 82.47 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 120.975 0.417 . . . . 75.34 110.161 170.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.87 -28.77 69.77 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.086 -0.961 . . . . 75.2 111.155 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.47 -19.85 64.58 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.224 1.01 . . . . 74.02 111.435 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 89.86 -21.95 27.71 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 115.501 0.96 . . . . 75.21 115.501 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -76.01 -7.59 55.01 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.062 0.931 . . . . 75.0 112.983 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.8 p -129.31 164.96 22.41 Favored 'General case' 0 C--O 1.246 0.917 0 N-CA-C 107.68 -1.23 . . . . 71.21 107.68 160.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -58.3 112.56 1.6 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.368 0.877 . . . . 72.03 113.368 -164.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -57.8 -26.65 62.23 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.749 1.219 . . . . 64.23 111.798 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.549 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 59.6 m80 -69.34 -13.17 62.23 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.108 0.963 . . . . 75.15 111.564 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.79 162.82 11.32 Favored Glycine 0 C--N 1.339 0.714 0 N-CA-C 110.744 -0.942 . . . . 71.22 110.744 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -122.91 141.39 51.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.798 -1.556 . . . . 74.32 106.798 173.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -96.75 167.99 10.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.332 0.587 . . . . 72.42 110.644 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.0 tt -150.9 130.57 13.11 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 106.384 -1.71 . . . . 75.22 106.384 170.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -100.67 124.6 46.51 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 108.583 -0.895 . . . . 75.02 108.583 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.2 t -113.67 123.22 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.125 -1.065 . . . . 72.24 108.125 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -89.84 119.22 69.42 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 107.918 -1.142 . . . . 73.12 107.918 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.59 ' HB3' ' HH ' ' A' ' 64' ' ' TYR . 38.1 Cg_endo -64.27 -31.6 63.17 Favored 'Trans proline' 0 C--N 1.372 1.799 0 C-N-CA 122.415 2.077 . . . . 61.21 112.975 -177.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.4 -82.75 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.735 1.214 . . . . 74.14 113.207 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -150.82 25.48 1.04 Allowed Glycine 0 C--N 1.343 0.941 0 C-N-CA 123.58 0.609 . . . . 72.15 112.066 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.44 105.35 1.78 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.465 1.106 . . . . 74.3 112.138 -175.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -86.46 169.98 12.37 Favored 'General case' 0 C--O 1.249 1.07 0 CA-C-N 115.091 -0.959 . . . . 73.24 109.21 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -56.2 103.09 0.22 Allowed Glycine 0 C--N 1.342 0.913 0 O-C-N 123.696 0.623 . . . . 65.42 113.555 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 105.01 10.14 32.91 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-O 119.284 -0.731 . . . . 63.25 114.145 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.18 177.27 9.13 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 117.743 0.771 . . . . 75.43 109.446 172.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -119.51 143.84 47.34 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.077 0.465 . . . . 74.4 110.505 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.15 144.06 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 107.782 -1.192 . . . . 72.42 107.782 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.88 110.81 14.42 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 110.12 -0.326 . . . . 74.14 110.12 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 16.1 mt -92.71 86.22 5.48 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 108.255 -1.017 . . . . 74.14 108.255 171.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.474 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -87.21 102.73 14.76 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 114.815 -1.084 . . . . 70.12 108.195 171.422 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -66.57 -16.65 64.32 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.315 -1.311 . . . . 75.03 110.434 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -75.63 -0.67 21.41 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.598 0.759 . . . . 73.4 112.209 173.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -110.74 -0.38 17.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.879 0.872 . . . . 75.1 111.396 168.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.13 140.21 21.48 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 123.945 0.778 . . . . 72.25 112.593 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -97.07 160.91 14.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.623 1.169 . . . . 71.15 108.809 -172.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -129.84 153.5 80.91 Favored Pre-proline 0 N--CA 1.476 0.859 0 N-CA-C 108.975 -0.75 . . . . 73.25 108.975 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.92 120.67 7.55 Favored 'Trans proline' 0 C--N 1.371 1.756 0 C-N-CA 120.898 1.066 . . . . 71.31 110.206 171.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 26' ' ' LYS . 82.9 m-85 -86.41 -15.63 39.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.937 0.495 . . . . 75.33 110.71 175.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 165' ' ' PHE . 35.9 m -57.1 -33.02 66.89 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.433 1.093 . . . . 73.12 111.014 169.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.16 -15.64 63.83 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.248 1.019 . . . . 73.22 112.95 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . 0.414 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 29.5 m-85 -71.39 8.37 1.07 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 114.111 1.152 . . . . 71.21 114.111 -177.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 114.34 -10.6 22.1 Favored Glycine 0 N--CA 1.474 1.214 0 CA-C-N 118.763 0.711 . . . . 53.42 113.355 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -74.01 -155.8 4.08 Favored Glycine 0 C--N 1.353 1.476 0 CA-C-N 117.38 0.59 . . . . 72.24 112.711 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 49.9 m -76.75 100.74 5.55 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 107.106 -1.442 . . . . 73.45 107.106 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.411 ' HA ' ' HB3' ' A' ' 159' ' ' CYS . 7.8 p90 -80.89 78.11 7.72 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 122.725 1.25 . . . . 75.55 111.131 -164.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 79' ' ' ARG . 22.2 p -98.01 94.24 6.75 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 113.553 -1.658 . . . . 71.44 109.322 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 130' ' ' HIS . 6.9 p -122.52 135.95 54.77 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.292 -1.003 . . . . 73.14 108.292 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -85.25 93.76 8.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.243 0.617 . . . . 75.21 109.77 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.36 111.83 5.36 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 124.478 1.111 . . . . 75.33 109.46 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.556 ' HB2' ' HB2' ' A' ' 174' ' ' ASN . 56.7 Cg_endo -83.42 152.02 13.59 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 122.429 2.086 . . . . 73.4 111.772 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.87 176.35 1.88 Allowed 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.907 2.405 . . . . 72.1 113.289 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -67.27 -15.96 64.0 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.323 0.649 . . . . 73.12 111.547 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.71 -23.68 66.15 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.987 0.915 . . . . 73.25 111.264 172.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.556 ' HB2' ' HB2' ' A' ' 170' ' ' PRO . 36.8 m-80 -112.82 36.17 3.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.918 0.887 . . . . 71.0 109.644 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -116.47 115.14 25.26 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.753 -0.832 . . . . 74.54 108.753 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.449 HG13 HD13 ' A' ' 95' ' ' LEU . 60.9 t -86.2 119.46 71.67 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 108.894 -0.78 . . . . 65.42 108.894 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.54 58.89 4.69 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 123.169 2.579 . . . . 64.22 112.205 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.33 152.18 31.79 Favored 'General case' 0 C--O 1.251 1.183 0 C-N-CA 124.529 1.131 . . . . 62.42 108.923 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -85.35 104.86 15.55 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.832 -0.622 . . . . 71.22 109.374 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 1.8 mp -91.45 89.59 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 104.385 -2.45 . . . . 73.3 104.385 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 2.4 m -119.35 73.19 0.93 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.316 1.055 . . . . 73.22 108.434 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.447 0 CA-C-N 113.589 -1.641 . . . . 72.12 108.589 -179.181 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.139 -0.319 . . . . 74.23 110.139 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.94 123.69 11.64 Favored 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.548 2.165 . . . . 74.33 110.885 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 36.3 mt -167.32 -58.63 0.01 OUTLIER Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 125.482 1.513 . . . . 75.53 108.409 -170.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.401 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 21.4 Cg_endo -88.49 28.58 0.48 Allowed 'Trans proline' 0 C--N 1.397 3.124 0 C-N-CA 122.381 2.054 . . . . 71.15 111.787 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.3 m -71.08 -20.89 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.885 0.874 . . . . 74.53 111.037 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -85.02 91.73 8.16 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 107.79 -1.189 . . . . 73.12 107.79 164.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 6.5 t0 -34.96 147.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.852 1.661 . . . . 71.1 114.875 177.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -54.12 138.38 38.11 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.746 0.819 . . . . 73.43 111.136 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -40.83 -42.19 1.75 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 126.239 1.816 . . . . 64.34 115.514 -163.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.35 -59.44 5.0 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.085 0.554 . . . . 73.42 110.462 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -72.16 -19.93 61.68 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.038 -0.983 . . . . 73.32 111.415 -178.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.489 ' O ' HG13 ' A' ' 19' ' ' ILE . 27.2 t90 -66.21 -55.03 18.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.604 1.162 . . . . 74.22 109.507 174.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.407 ' HA ' HD11 ' A' ' 19' ' ' ILE . 77.2 mtt-85 -61.93 -30.35 70.84 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.58 -0.736 . . . . 74.24 111.016 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.52 93.98 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 119.146 -0.454 . . . . 62.24 111.289 170.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 8.6 mmp_? -58.23 -49.57 76.62 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.963 0.505 . . . . 73.34 110.466 177.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 15' ' ' TRP . 19.9 mt -63.49 -58.63 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 115.461 -0.79 . . . . 73.51 110.504 -175.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.36 -39.45 75.99 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.095 0.872 . . . . 61.24 112.009 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -47.58 70.08 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.689 0.396 . . . . 74.12 111.694 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -67.32 -38.82 85.52 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 121.108 0.48 . . . . 75.33 110.421 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.52 ' NH1' ' HB2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -68.84 -34.24 75.15 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 114.798 -1.092 . . . . 73.02 109.628 178.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.63 -36.56 70.8 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.65 0.78 . . . . 75.11 111.309 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.19 -42.01 98.89 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.242 0.617 . . . . 52.21 109.851 173.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -29.57 65.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.462 -0.79 . . . . 73.04 111.687 174.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -62.23 -47.98 82.03 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.311 0.644 . . . . 75.02 109.818 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.06 -19.29 44.11 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.579 -0.737 . . . . 74.21 112.38 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 33' ' ' HIS . 42.2 t80 -56.52 -51.92 66.7 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 112.96 0.726 . . . . 74.42 112.96 -176.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.641 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -85.28 -18.82 32.76 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 111.633 0.234 . . . . 72.12 111.633 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.98 -54.88 6.2 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.273 0.629 . . . . 73.14 111.371 -176.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 t -120.85 -50.63 2.17 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.371 0.669 . . . . 71.33 112.004 -173.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 3.2 t-160 -44.85 115.34 0.86 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.192 0.997 . . . . 75.53 111.27 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.84 -17.82 57.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.683 1.193 . . . . 75.53 113.974 -167.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -69.22 -20.4 63.96 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.095 0.558 . . . . 74.12 112.012 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 t -143.0 106.05 5.26 Favored Pre-proline 0 C--N 1.345 0.41 0 N-CA-C 108.652 -0.87 . . . . 74.45 108.652 -169.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -91.22 123.28 0.8 Allowed 'Trans proline' 0 CA--C 1.552 1.402 0 C-N-CA 122.492 2.128 . . . . 62.13 111.867 168.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.641 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 18.3 tt -80.4 142.57 54.4 Favored Pre-proline 0 N--CA 1.477 0.887 0 N-CA-C 107.085 -1.45 . . . . 75.1 107.085 165.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -43.44 131.41 6.99 Favored 'Trans proline' 0 CA--C 1.559 1.766 0 C-N-CA 123.097 2.531 . . . . 72.02 113.687 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.42 -33.28 46.06 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 123.788 2.992 . . . . 74.24 112.851 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.61 92.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.804 0.842 . . . . 72.55 111.767 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.01 -38.27 32.43 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.166 0.586 . . . . 63.33 110.941 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.505 ' HB2' HG22 ' A' ' 38' ' ' ILE . 44.0 ttp85 -63.66 -29.78 70.97 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.78 0.675 . . . . 73.42 111.386 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.64 -44.27 96.7 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 116.112 -0.494 . . . . 71.11 112.357 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.43 17.39 16.21 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.762 0.825 . . . . 74.12 111.888 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -76.83 122.55 24.96 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.144 0.578 . . . . 73.42 110.423 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -136.61 -17.42 1.49 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.347 0.659 . . . . 75.41 111.084 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.03 122.44 0.61 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 111.787 -0.525 . . . . 75.31 111.787 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.52 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 65.4 mt -64.49 147.38 52.88 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.501 0.721 . . . . 73.13 111.622 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -81.9 134.47 35.4 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.286 -0.87 . . . . 72.04 110.626 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -160.64 147.39 15.44 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.73 -1.123 . . . . 64.21 108.727 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -73.38 161.72 30.14 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.537 -0.542 . . . . 75.51 109.537 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.06 145.9 44.09 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.37 -0.377 . . . . 71.1 110.683 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -65.3 115.86 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.438 0.695 . . . . 75.3 110.15 -171.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -105.36 131.21 53.08 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.431 0.692 . . . . 63.01 109.938 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.59 -21.85 47.98 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.785 0.834 . . . . 64.51 111.98 -175.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.6 m -79.45 -19.42 49.89 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 122.138 -0.351 . . . . 62.31 110.469 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -86.46 11.77 11.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.318 0.647 . . . . 75.41 112.391 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.515 ' HB3' ' ND2' ' A' ' 152' ' ' ASN . 36.9 ptt180 -109.68 108.2 18.5 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 108.327 -0.99 . . . . 74.43 108.327 164.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.6 m -103.01 170.57 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 120.969 0.414 . . . . 74.34 110.57 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.43 108.38 18.88 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.677 -1.231 . . . . 72.24 107.677 175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.36 134.29 47.0 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.993 0.917 . . . . 73.03 109.937 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -74.68 117.45 16.53 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.486 0.714 . . . . 72.53 109.799 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -83.05 124.22 30.23 Favored 'General case' 0 C--O 1.251 1.156 0 C-N-CA 124.994 1.317 . . . . 74.22 110.128 -174.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -125.8 112.28 24.85 Favored Pre-proline 0 C--O 1.214 -0.783 0 N-CA-C 108.482 -0.933 . . . . 74.54 108.482 167.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.94 163.69 36.31 Favored 'Trans proline' 0 C--N 1.369 1.641 0 C-N-CA 122.455 2.103 . . . . 75.33 111.741 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.82 97.69 3.34 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.488 -0.931 . . . . 63.23 108.488 172.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -58.3 -27.17 63.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.225 1.01 . . . . 72.23 110.963 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -128.17 93.44 38.91 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 107.57 -1.27 . . . . 71.53 107.57 167.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.7 128.5 12.61 Favored 'Trans proline' 0 C--N 1.367 1.542 0 C-N-CA 121.997 1.798 . . . . 74.43 111.389 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -131.0 152.2 50.57 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.77 0.828 . . . . 74.23 110.853 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.15 113.15 23.49 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.587 0.755 . . . . 75.42 109.352 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 33.8 m -105.68 156.65 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 123.775 0.83 . . . . 72.43 109.958 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.499 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 44.8 mt-10 -102.04 116.36 32.52 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.37 0.668 . . . . 63.12 109.611 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 168' ' ' ALA . 0.7 OUTLIER -114.41 124.37 51.77 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.143 -1.428 . . . . 74.13 107.143 174.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -60.36 152.7 24.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.367 0.667 . . . . 74.31 109.873 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.2 p -117.66 163.62 16.2 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.483 0.583 . . . . 74.53 110.721 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.9 p -74.72 -27.88 60.56 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.212 -0.904 . . . . 72.22 109.946 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -72.97 -32.46 65.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.263 -0.881 . . . . 73.41 111.442 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.23 -120.39 1.13 Allowed Glycine 0 C--N 1.346 1.13 0 CA-C-O 118.844 -0.976 . . . . 73.43 112.465 -171.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -50.83 143.76 28.96 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.269 3.313 . . . . 75.23 114.128 -172.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -61.87 139.03 77.63 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 122.874 2.383 . . . . 73.32 112.691 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.35 128.63 44.34 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.069 1.347 . . . . 75.01 109.093 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.499 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 40.0 mt-10 -94.06 127.84 40.1 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.075 0.55 . . . . 73.21 110.084 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.456 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 59.1 m-85 -131.02 139.03 49.9 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.998 0.519 . . . . 75.14 110.98 -177.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -80.98 130.94 35.26 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.436 -0.802 . . . . 73.31 109.284 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -70.85 116.08 10.73 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.658 0.383 . . . . 75.3 110.032 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.57 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.66 -51.1 8.05 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.433 0.693 . . . . 54.34 111.457 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.9 175.23 12.75 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.369 -0.832 . . . . 64.23 110.93 -171.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.86 125.05 34.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 C-N-CA 125.474 1.51 . . . . 74.43 107.145 171.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -104.01 135.25 45.87 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.485 1.114 . . . . 72.22 110.431 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -116.16 122.63 5.6 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 111.14 -0.784 . . . . 65.11 111.14 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.676 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 39.8 p90 -143.92 -175.89 4.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.278 0.631 . . . . 75.1 110.775 -171.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -121.56 142.49 50.04 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.997 0.919 . . . . 70.43 109.741 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.655 ' HB2' ' HD1' ' A' ' 100' ' ' HIS . 16.5 mt -149.05 129.28 13.69 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.529 1.132 . . . . 75.42 108.609 175.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.12 -104.02 1.03 Allowed Glycine 0 C--N 1.35 1.331 0 O-C-N 123.538 0.524 . . . . 62.12 113.047 173.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -108.52 -18.26 13.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.43 1.092 . . . . 75.44 110.52 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 m -133.55 154.78 50.59 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 122.156 0.979 . . . . 70.32 113.398 -163.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -85.61 124.9 32.68 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.16 -1.382 . . . . 74.51 108.125 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.655 ' HD1' ' HB2' ' A' ' 95' ' ' LEU . 37.7 m80 -125.58 147.65 49.21 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.793 0.837 . . . . 75.12 109.24 -171.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.32 162.06 16.51 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.909 -0.775 . . . . 71.33 108.909 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.676 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 4.5 tp -147.35 128.65 14.81 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 109.244 -0.65 . . . . 75.4 109.244 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.0 m -87.15 123.04 31.77 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.108 0.48 . . . . 74.22 110.458 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -101.55 124.07 46.61 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.442 1.097 . . . . 63.23 109.701 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.456 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 25.6 m-85 -96.69 175.93 6.19 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.658 0.783 . . . . 73.21 110.084 175.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.57 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 72.4 ttt180 -128.97 129.88 45.99 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.707 -0.849 . . . . 75.23 108.707 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.686 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 15.3 t -82.16 152.93 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 108.836 -0.801 . . . . 73.54 108.836 175.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.26 114.48 6.77 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 122.888 0.475 . . . . 54.13 110.462 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.96 28.01 47.61 Favored Glycine 0 N--CA 1.475 1.245 0 CA-C-N 116.337 -0.392 . . . . 64.51 112.427 171.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.686 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -80.71 175.98 10.2 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.039 1.336 . . . . 74.54 112.474 -171.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 79.3 p -113.81 -34.43 5.47 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.626 -0.879 . . . . 75.14 108.626 161.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.6 m -121.67 153.45 38.15 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.427 -1.261 . . . . 74.14 110.984 -173.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 19.6 mt -83.3 140.52 32.42 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.712 1.205 . . . . 72.22 110.528 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -92.32 98.1 11.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.779 1.232 . . . . 75.24 108.856 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.4 t -107.77 107.18 60.01 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 122.454 0.302 . . . . 70.34 110.217 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -81.14 153.72 18.96 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.966 2.444 . . . . 73.35 110.822 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -168.64 159.46 10.02 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 121.638 0.732 . . . . 74.23 112.212 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.406 HG23 ' HG2' ' A' ' 170' ' ' PRO . 4.3 p -134.31 151.8 51.45 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.784 -1.553 . . . . 75.34 108.928 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.457 ' CG ' HH22 ' A' ' 132' ' ' ARG . 2.9 m-20 -117.04 -161.86 0.83 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.505 1.122 . . . . 74.52 110.207 -168.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -79.05 -34.24 43.93 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.157 0.983 . . . . 73.12 108.943 155.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.2 m -59.2 -30.82 68.5 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.359 1.464 . . . . 64.41 111.611 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.635 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 14.2 p -70.92 -49.72 42.64 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.064 0.945 . . . . 73.54 111.075 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.57 -18.33 60.59 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 115.652 -0.704 . . . . 72.04 111.387 -177.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -84.5 -9.06 58.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.258 0.623 . . . . 70.22 110.614 172.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.64 6.72 86.97 Favored Glycine 0 C--N 1.352 1.434 0 N-CA-C 115.571 0.989 . . . . 64.01 115.571 169.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -77.57 -44.94 26.83 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 117.843 0.821 . . . . 73.45 109.981 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.614 ' HB ' ' HE ' ' A' ' 132' ' ' ARG . 75.3 p -111.58 155.05 23.93 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.116 0.966 . . . . 73.11 110.522 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.427 ' HB3' ' HD2' ' A' ' 132' ' ' ARG . 7.5 t80 -53.31 104.89 0.11 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.854 1.262 . . . . 70.04 112.469 -169.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.635 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 0.0 OUTLIER -63.32 -25.49 68.33 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.608 1.163 . . . . 75.13 112.369 -174.632 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -77.38 -6.47 53.45 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 115.623 -0.717 . . . . 70.04 111.745 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 128.72 161.74 10.75 Favored Glycine 0 C--N 1.347 1.143 0 CA-C-N 116.359 -0.382 . . . . 73.04 112.921 170.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.614 ' HE ' ' HB ' ' A' ' 127' ' ' THR . 0.0 OUTLIER -136.67 167.12 22.02 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.882 0.873 . . . . 72.32 108.893 169.144 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -118.49 164.57 15.08 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.705 0.764 . . . . 74.43 111.646 -175.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.541 ' HA ' ' HD1' ' A' ' 155' ' ' TYR . 1.6 tt -147.44 119.24 8.09 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 105.889 -1.893 . . . . 61.21 105.889 171.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.472 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 3.7 p30 -86.54 112.21 21.33 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.745 -1.206 . . . . 73.45 107.745 171.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 66.7 t -105.86 120.5 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.917 -0.771 . . . . 74.24 108.917 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -78.33 120.94 82.99 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 108.252 -1.018 . . . . 72.43 108.252 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.1 -31.3 95.25 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.855 2.37 . . . . 75.31 112.578 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 47.82 36.37 5.81 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.546 1.138 . . . . 74.05 112.678 -176.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 55.82 42.07 84.98 Favored Glycine 0 C--N 1.35 1.356 0 CA-C-N 115.777 -0.647 . . . . 71.42 114.543 -174.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -80.66 163.29 23.71 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.771 0.428 . . . . 71.55 111.038 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -146.92 175.58 10.55 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 108.96 -0.755 . . . . 73.23 108.96 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -58.16 112.07 3.62 Favored Glycine 0 C--N 1.348 1.22 0 N-CA-C 114.249 0.46 . . . . 65.4 114.249 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.37 -3.49 32.93 Favored Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.624 -0.542 . . . . 75.5 113.498 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -80.98 -179.88 7.54 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 117.429 0.615 . . . . 72.33 109.664 168.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -129.99 156.08 45.06 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.611 0.719 . . . . 63.24 109.264 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.65 158.69 41.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.582 -1.266 . . . . 74.44 107.582 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.87 115.78 24.51 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.814 -0.81 . . . . 71.3 108.814 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.2 mt -92.18 85.81 5.57 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 107.847 -1.168 . . . . 75.34 107.847 171.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.466 ' HB3' HD22 ' A' ' 153' ' ' LEU . 3.5 m-20 -74.81 93.71 2.66 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 113.73 -1.577 . . . . 71.3 108.053 173.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.613 ' HB3' HG23 ' A' ' 180' ' ' ILE . 22.1 m-85 -74.29 -19.93 60.31 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 116.096 -0.502 . . . . 72.32 109.848 173.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 59' ' ' ARG . 8.8 p30 -64.69 -24.12 67.47 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.223 0.609 . . . . 60.12 111.014 173.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 150' ' ' ASP . 2.3 mm? -77.98 -24.26 48.09 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.718 0.807 . . . . 73.22 111.738 172.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.96 125.76 3.01 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 125.34 1.456 . . . . 72.24 113.851 -165.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.541 ' HD1' ' HA ' ' A' ' 134' ' ' LEU . 8.4 m-85 -103.47 162.77 12.75 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 114.083 -1.417 . . . . 75.23 111.206 -164.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -100.01 152.14 37.72 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.169 -0.923 . . . . 75.54 110.71 -173.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -81.21 134.54 9.2 Favored 'Trans proline' 0 CA--C 1.552 1.388 0 C-N-CA 122.829 2.352 . . . . 73.04 109.375 156.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -75.79 -5.65 46.86 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.431 0.692 . . . . 74.31 112.024 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 29.4 m -54.52 -36.29 64.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.869 0.868 . . . . 74.21 110.019 165.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.02 -36.01 72.24 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 114.998 -1.001 . . . . 75.23 110.884 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -89.65 12.62 16.31 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.286 0.634 . . . . 74.14 111.135 -174.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.24 -33.57 6.22 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-N 116.093 -0.503 . . . . 51.14 113.366 168.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -57.44 124.16 35.06 Favored Glycine 0 C--N 1.348 1.237 0 N-CA-C 111.312 -0.715 . . . . 74.41 111.312 172.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 51.0 m -81.77 78.82 8.45 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.528 0.68 . . . . 71.55 110.84 -170.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -101.18 -175.46 2.87 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 114.898 -1.047 . . . . 73.23 110.43 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 26.9 p -103.94 122.69 45.73 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.83 0.852 . . . . 72.43 109.727 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 36.4 t -109.6 113.78 26.85 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.659 -1.237 . . . . 73.22 107.659 171.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . . . -74.32 118.49 17.33 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.188 0.595 . . . . 73.11 109.529 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.47 118.28 26.88 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 124.528 1.131 . . . . 72.22 110.064 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.406 ' HG2' HG23 ' A' ' 118' ' ' THR . 17.5 Cg_exo -67.46 133.47 30.22 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.986 2.457 . . . . 73.55 110.848 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.78 170.59 11.12 Favored 'Trans proline' 0 C--N 1.37 1.676 0 C-N-CA 122.636 2.224 . . . . 73.21 112.467 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -53.04 -28.87 26.55 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 114.101 1.149 . . . . 73.14 114.101 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.61 -21.97 61.04 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 120.831 0.348 . . . . 64.22 111.469 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.508 ' HA ' HD13 ' A' ' 102' ' ' LEU . 16.0 m120 -96.67 -0.01 49.06 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.248 0.619 . . . . 74.22 111.855 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -92.91 110.06 21.51 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.3 -0.63 . . . . 75.14 109.3 172.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 30.1 m -95.46 132.09 28.33 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 123.861 0.864 . . . . 73.11 110.007 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -74.79 69.53 5.35 Favored 'Trans proline' 0 C--N 1.369 1.617 0 C-N-CA 122.775 2.317 . . . . 75.33 111.015 165.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -153.04 145.66 24.25 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.252 1.021 . . . . 73.3 108.979 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -95.0 104.71 16.59 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.191 0.597 . . . . 72.24 109.735 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . 0.613 HG23 ' HB3' ' A' ' 151' ' ' PHE . 3.9 mp -105.79 94.68 3.26 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 N-CA-C 108.301 -1.0 . . . . 71.33 108.301 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 26.9 p -86.33 135.02 33.68 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.17 -1.418 . . . . 71.31 107.17 165.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 119.413 -0.327 . . . . 71.15 110.433 -161.835 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.552 1.02 0 N-CA-C 109.369 -0.604 . . . . 74.13 109.369 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.438 ' HB2' ' O ' ' A' ' 146' ' ' GLU . 16.5 Cg_exo -54.34 126.22 21.5 Favored 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 123.096 2.531 . . . . 71.54 112.189 -175.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.415 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 63.9 mt -167.74 -55.93 0.01 OUTLIER Pre-proline 0 CA--C 1.561 1.373 0 C-N-CA 126.189 1.796 . . . . 64.24 108.759 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 40.8 Cg_endo -85.29 30.12 0.52 Allowed 'Trans proline' 0 C--N 1.408 3.659 0 C-N-CA 122.504 2.136 . . . . 73.23 112.539 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.5 m -67.85 -26.24 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 115.625 -0.716 . . . . 73.34 109.548 170.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.5 t -95.23 31.61 1.9 Allowed 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.931 1.292 . . . . 75.31 110.67 169.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 40.16 -150.15 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.846 1.425 . . . . 74.54 114.846 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -111.21 152.38 27.16 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 106.737 -1.579 . . . . 73.34 106.737 165.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -36.26 -50.66 0.75 Allowed 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 115.803 1.779 . . . . 72.24 115.803 -163.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -74.85 -45.41 43.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.799 0.44 . . . . 54.42 110.753 -174.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.74 -33.01 74.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.102 0.561 . . . . 72.44 110.371 178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.522 ' O ' HG13 ' A' ' 19' ' ' ILE . 21.5 t90 -62.98 -58.33 7.71 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.232 1.413 . . . . 74.45 108.793 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -50.74 -46.08 59.06 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 124.711 1.257 . . . . 74.34 111.046 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.36 96.94 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.297 0.639 . . . . 73.21 111.891 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -65.33 -40.29 93.48 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.877 0.471 . . . . 62.43 110.806 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 15' ' ' TRP . 63.3 mt -61.29 -49.32 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 123.893 0.745 . . . . 75.14 109.896 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.99 -34.93 79.22 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 124.165 0.916 . . . . 72.51 111.445 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.07 -35.26 77.91 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.217 0.607 . . . . 32.12 110.514 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -70.98 -37.6 72.75 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.601 0.761 . . . . 73.31 110.285 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.546 ' HD2' ' HB2' ' A' ' 51' ' ' TYR . 18.4 mmt180 -63.58 -45.55 89.88 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 109.512 -0.551 . . . . 74.51 109.512 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.85 -38.8 92.19 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.845 -0.616 . . . . 63.22 110.893 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.56 -50.76 72.05 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 123.913 0.885 . . . . 62.15 112.004 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.1 -50.52 54.39 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.644 -0.502 . . . . 74.22 109.644 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -36.57 37.63 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.367 0.667 . . . . 74.54 112.522 178.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -84.5 -33.81 23.48 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 118.899 -0.572 . . . . 74.22 111.432 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -56.05 -62.07 1.96 Allowed 'General case' 0 N--CA 1.499 1.975 0 C-N-CA 123.782 0.833 . . . . 75.32 111.948 -173.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.53 -13.53 61.05 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.727 0.64 . . . . 74.13 112.727 -176.065 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.28 -39.05 13.75 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.785 0.434 . . . . 64.13 111.137 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.3 p -112.48 -58.51 2.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.785 0.434 . . . . 74.15 111.501 -171.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -63.88 133.65 53.7 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 121.394 0.616 . . . . 75.13 112.6 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.64 -24.86 67.72 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.485 1.514 . . . . 51.33 113.736 -164.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -70.03 -14.39 62.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.536 0.939 . . . . 74.15 113.536 -167.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.1 m -156.56 85.72 3.02 Favored Pre-proline 0 N--CA 1.479 0.997 0 N-CA-C 108.104 -1.073 . . . . 73.43 108.104 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -84.01 125.35 3.59 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 122.353 2.035 . . . . 72.2 112.563 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.443 HG13 ' HB2' ' A' ' 30' ' ' LEU . 52.8 mt -69.17 129.7 91.79 Favored Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 108.697 -0.853 . . . . 74.21 108.697 172.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -47.22 136.36 18.84 Favored 'Trans proline' 0 C--N 1.386 2.514 0 C-N-CA 123.673 2.915 . . . . 63.03 113.225 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -51.14 -32.84 41.5 Favored 'Trans proline' 0 C--N 1.386 2.521 0 C-N-CA 124.123 3.215 . . . . 73.34 114.696 -170.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.84 -51.19 65.8 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.961 0.504 . . . . 55.13 112.022 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -71.46 -36.39 71.2 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.323 0.649 . . . . 62.21 110.377 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.532 ' HA ' ' HB2' ' A' ' 46' ' ' PHE . 57.3 ttt-85 -71.99 -22.74 61.38 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.914 -1.039 . . . . 75.53 111.13 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.31 -44.94 72.5 Favored Glycine 0 C--N 1.347 1.183 0 N-CA-C 111.477 -0.649 . . . . 72.32 111.477 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.21 27.98 4.32 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.905 0.882 . . . . 74.52 111.274 174.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.532 ' HB2' ' HA ' ' A' ' 43' ' ' ARG . 86.9 t80 -64.96 104.32 0.85 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.082 0.553 . . . . 75.2 109.563 176.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -93.13 -17.48 23.72 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.015 -0.993 . . . . 71.22 108.761 168.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.55 -147.37 18.8 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 108.352 -1.899 . . . . 61.13 108.352 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -152.7 170.6 19.85 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.003 0.921 . . . . 75.13 108.693 176.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -73.65 113.04 10.33 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.438 -0.949 . . . . 74.35 108.438 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.546 ' HB2' ' HD2' ' A' ' 23' ' ' ARG . 19.7 p90 -119.86 149.88 41.37 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.563 -1.273 . . . . 75.05 107.563 173.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -84.98 147.67 26.59 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.758 0.423 . . . . 73.11 110.369 -171.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -97.0 159.37 14.95 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.143 0.577 . . . . 71.04 110.08 -172.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.492 HG13 HG23 ' A' ' 19' ' ' ILE . 3.9 mp -74.36 138.79 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 124.168 0.987 . . . . 74.13 109.903 -172.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -162.59 128.61 3.43 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.559 0.537 . . . . 74.54 110.186 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.64 -23.09 45.98 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.915 0.886 . . . . 71.12 112.791 -174.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -86.91 -25.64 24.31 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.624 0.37 . . . . 73.44 110.677 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -89.9 19.1 5.05 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.385 0.674 . . . . 70.33 111.375 174.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -113.5 110.95 21.11 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 107.559 -1.274 . . . . 75.24 107.559 159.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.0 m -103.13 158.6 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 N-CA-C 109.546 -0.539 . . . . 74.43 109.546 177.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.02 119.79 35.13 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 107.982 -1.118 . . . . 64.23 107.982 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -115.52 142.31 46.89 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.261 1.024 . . . . 55.43 110.158 -172.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -74.99 114.47 13.51 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.496 -0.557 . . . . 75.12 109.496 177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -78.56 119.15 21.43 Favored 'General case' 0 C--O 1.251 1.143 0 N-CA-C 108.56 -0.904 . . . . 71.54 108.56 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -116.48 106.58 48.37 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 106.969 -1.493 . . . . 74.21 106.969 168.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.35 148.68 92.64 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 121.862 1.708 . . . . 74.31 110.324 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.36 101.13 0.54 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.893 -0.78 . . . . 71.43 108.893 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -57.75 -31.15 66.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.914 1.286 . . . . 71.31 111.035 -177.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -139.29 95.71 9.14 Favored Pre-proline 0 CA--C 1.556 1.191 0 CA-C-N 115.121 -0.945 . . . . 73.43 108.487 167.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.18 128.92 17.27 Favored 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 122.974 2.449 . . . . 74.04 112.477 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -124.29 144.9 49.72 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.753 0.821 . . . . 73.41 110.123 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.91 114.09 21.43 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.04 -0.726 . . . . 73.05 109.04 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 20.4 m -105.19 157.66 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.052 0.941 . . . . 72.31 109.188 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.544 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 31.9 mt-10 -112.23 106.27 14.8 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.595 0.758 . . . . 71.43 109.274 -174.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.07 122.66 39.14 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.022 -1.473 . . . . 75.11 107.022 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -61.39 146.92 46.64 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.191 -0.67 . . . . 74.12 109.191 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 167' ' ' CYS . 63.8 p -114.35 158.61 21.25 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.266 0.484 . . . . 74.23 110.527 -174.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.0 p -73.64 -20.54 60.55 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 115.274 -0.876 . . . . 72.0 110.152 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 165' ' ' PHE . 75.8 ttt180 -76.84 -26.74 54.65 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.706 1.202 . . . . 70.33 111.423 175.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.01 -122.24 2.06 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 118.292 -1.282 . . . . 75.32 111.902 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -43.9 140.79 4.72 Favored 'Trans proline' 0 C--N 1.39 2.741 0 C-N-CA 124.536 3.49 . . . . 62.41 114.908 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HB2' ' HB3' ' A' ' 74' ' ' GLU . 36.4 Cg_endo -61.52 146.82 96.66 Favored 'Trans proline' 0 C--N 1.381 2.267 0 C-N-CA 122.947 2.431 . . . . 74.01 114.114 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.78 132.36 47.57 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.763 1.225 . . . . 74.31 108.357 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.544 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 37.9 mt-10 -89.64 128.73 36.1 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.891 0.476 . . . . 74.03 110.564 -177.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.425 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 64.0 m-85 -131.42 136.18 47.79 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.463 -0.94 . . . . 72.21 108.463 176.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.9 m -82.53 142.08 32.11 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 108.881 -0.785 . . . . 73.4 108.881 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -78.99 113.5 17.16 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.567 -0.531 . . . . 72.24 109.567 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.76 -42.84 17.46 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.504 0.722 . . . . 73.25 110.701 176.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -163.6 176.03 10.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.439 -0.801 . . . . 75.24 111.898 -175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.6 126.63 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 125.207 1.403 . . . . 73.13 107.608 167.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.46 118.4 33.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.814 0.846 . . . . 75.32 109.672 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.37 113.75 4.69 Favored Glycine 0 C--N 1.34 0.778 0 N-CA-C 110.286 -1.125 . . . . 73.02 110.286 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -135.26 -174.98 3.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.617 0.767 . . . . 74.34 109.384 -172.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -138.39 159.25 42.55 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.207 -1.035 . . . . 65.33 108.207 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.5 tp -171.48 135.16 0.9 Allowed 'General case' 0 C--O 1.247 0.93 0 N-CA-C 108.316 -0.994 . . . . 74.34 108.316 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.16 -103.28 0.83 Allowed Glycine 0 C--N 1.346 1.116 0 O-C-N 123.237 0.336 . . . . 74.34 112.689 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -121.86 3.7 10.0 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.382 1.073 . . . . 73.42 110.875 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.0 m -128.49 135.73 49.84 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.73 0.641 . . . . 61.53 112.73 -167.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -93.33 110.39 21.93 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 108.111 -1.07 . . . . 75.43 108.111 168.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -130.52 159.45 37.07 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.647 0.379 . . . . 73.43 110.38 -166.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 p -113.83 156.62 23.56 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.297 0.639 . . . . 71.43 111.067 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.4 tp -140.49 117.75 11.33 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.873 -1.158 . . . . 74.35 107.873 -175.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.8 m -87.12 125.94 34.46 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 118.326 0.512 . . . . 72.14 110.196 -173.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.423 ' HA ' HG23 ' A' ' 115' ' ' VAL . . . -99.23 127.3 45.2 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.52 1.128 . . . . 72.41 109.958 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.425 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 57.3 m-85 -107.58 145.23 33.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.565 0.746 . . . . 73.32 111.572 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.5 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 46.2 ttt85 -94.88 122.0 37.06 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.772 1.629 . . . . 74.33 108.719 175.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.61 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 48.5 t -107.74 139.94 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.869 1.268 . . . . 73.4 109.746 -176.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -55.47 102.94 0.08 Allowed 'General case' 0 CA--C 1.561 1.388 0 CA-C-O 121.791 0.805 . . . . 75.2 111.482 173.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.69 27.58 29.07 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.016 -0.993 . . . . 70.04 114.099 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.61 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.3 OUTLIER -80.08 166.81 21.14 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 109.606 -0.516 . . . . 73.24 109.606 176.072 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.2 t -95.52 -42.74 8.29 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 121.572 -0.705 . . . . 75.05 109.356 169.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.4 m -135.09 167.67 20.54 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.61 1.164 . . . . 64.32 109.519 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.0 mt -75.97 147.72 38.64 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.335 0.654 . . . . 73.12 110.425 -165.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.76 105.13 16.43 Favored 'General case' 0 C--O 1.233 0.203 0 O-C-N 124.887 1.367 . . . . 74.22 107.648 -176.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.423 HG23 ' HA ' ' A' ' 104' ' ' ALA . 35.2 t -106.92 94.51 10.75 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 108.691 -0.855 . . . . 73.12 108.691 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.95 114.51 4.04 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 121.906 1.737 . . . . 71.52 108.488 169.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.417 ' HA ' HD21 ' A' ' 174' ' ' ASN . 10.1 p90 -133.75 172.35 12.89 Favored 'General case' 0 C--O 1.245 0.84 0 C-N-CA 123.583 0.753 . . . . 74.12 109.272 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.408 HG21 ' HG3' ' A' ' 170' ' ' PRO . 1.3 p -138.22 172.5 12.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.464 -1.244 . . . . 74.34 108.596 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -143.63 -163.72 1.72 Allowed 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 124.053 0.941 . . . . 70.04 108.883 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.12 -32.97 59.43 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 122.161 -0.337 . . . . 72.01 111.507 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.535 ' HA ' ' HB3' ' A' ' 124' ' ' ASP . 0.2 OUTLIER -70.61 -25.48 63.06 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.264 0.626 . . . . 65.52 111.975 -175.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.9 p -68.1 -50.84 52.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.373 0.669 . . . . 72.22 109.882 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.78 -28.38 68.97 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.354 -0.839 . . . . 64.45 110.197 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.535 ' HB3' ' HA ' ' A' ' 121' ' ' THR . 25.5 t70 -79.25 -9.27 59.53 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 125.092 1.357 . . . . 73.42 111.369 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 85.6 -7.6 75.88 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 115.039 0.776 . . . . 71.34 115.039 173.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -79.9 -15.34 57.52 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.983 0.513 . . . . 73.52 111.502 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.2 p -131.17 173.8 10.67 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.075 0.95 . . . . 72.11 108.49 164.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -68.84 108.58 3.51 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.257 0.623 . . . . 75.11 112.209 -169.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.7 -40.23 83.05 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.252 1.421 . . . . 71.13 113.553 -171.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -78.81 -1.86 36.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.166 0.586 . . . . 72.45 111.79 -176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 138.87 157.65 7.42 Favored Glycine 0 C--N 1.349 1.281 0 N-CA-C 112.752 -0.139 . . . . 61.11 112.752 169.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.651 HH21 ' HB2' ' A' ' 154' ' ' ALA . 11.2 ptm180 -135.68 141.8 45.02 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.124 -1.065 . . . . 75.15 108.124 169.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -94.67 160.27 14.7 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.802 0.441 . . . . 74.31 110.389 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.2 129.52 39.84 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.731 -1.211 . . . . 73.13 107.731 173.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.53 104.05 16.0 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 107.776 -1.194 . . . . 75.23 107.776 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 62.1 t -115.75 124.68 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 122.93 0.492 . . . . 74.12 110.89 -170.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.5 117.82 69.64 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 108.804 -0.813 . . . . 63.54 108.804 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.11 -30.47 16.17 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.49 2.127 . . . . 74.42 113.321 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 59.38 26.12 14.96 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.252 1.021 . . . . 73.53 112.303 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.73 40.58 49.01 Favored Glycine 0 C--N 1.35 1.312 0 CA-C-N 116.045 -0.525 . . . . 75.45 113.578 -168.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.03 148.42 51.03 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.06 0.544 . . . . 71.22 111.334 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.02 170.05 8.54 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 108.838 -0.801 . . . . 75.2 108.838 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -59.73 104.2 0.54 Allowed Glycine 0 C--N 1.348 1.207 0 O-C-N 123.405 0.441 . . . . 63.24 112.809 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.89 2.63 32.05 Favored Glycine 0 N--CA 1.467 0.737 0 CA-C-O 119.432 -0.649 . . . . 74.15 114.535 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.87 175.74 10.16 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 108.412 -0.958 . . . . 73.42 108.412 165.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 5' ' ' PRO . 12.7 pt-20 -128.45 145.63 51.04 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.168 0.509 . . . . 73.31 111.124 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.06 150.42 32.74 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 C-N-CA 124.934 1.294 . . . . 72.4 107.573 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.34 117.02 19.94 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.894 0.477 . . . . 63.13 110.755 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.0 mt -92.29 86.54 5.75 Favored 'General case' 0 C--O 1.248 1.024 0 N-CA-C 107.85 -1.167 . . . . 75.52 107.85 170.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.22 95.76 7.04 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 113.94 -1.482 . . . . 74.45 110.166 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -66.76 -22.39 66.04 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.386 -0.598 . . . . 74.22 109.386 172.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -71.57 -25.42 62.19 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.416 -0.811 . . . . 74.13 110.838 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.481 ' HA ' HH22 ' A' ' 23' ' ' ARG . 1.6 mm? -81.26 -25.52 36.53 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.441 0.697 . . . . 70.24 112.14 176.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.651 ' HB2' HH21 ' A' ' 132' ' ' ARG . . . -47.7 150.46 1.03 Allowed 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.824 1.327 . . . . 62.31 113.624 -170.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -119.05 169.03 10.26 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.108 0.963 . . . . 74.23 110.91 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -102.46 151.03 38.14 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.076 0.951 . . . . 72.23 110.371 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -64.18 157.05 55.79 Favored 'Trans proline' 0 C--N 1.373 1.852 0 C-N-CA 122.838 2.359 . . . . 73.33 113.059 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -65.97 -28.67 69.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.806 0.842 . . . . 63.52 112.704 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 11.9 m -62.33 -24.95 67.62 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.496 0.718 . . . . 75.53 112.47 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -74.58 -1.79 23.06 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.147 0.979 . . . . 73.31 112.938 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -91.24 0.35 57.54 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.737 0.815 . . . . 75.05 110.632 -175.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 93.01 32.64 7.78 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 116.218 -0.446 . . . . 62.41 112.599 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.16 166.93 25.61 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 112.422 -0.271 . . . . 43.13 112.422 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 67.2 m -91.92 70.59 5.55 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.968 0.907 . . . . 60.15 109.949 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 76.6 m-85 -95.65 179.29 5.18 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 114.969 -1.014 . . . . 73.52 108.667 173.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.1 m -102.38 114.8 29.29 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.269 0.628 . . . . 73.41 109.643 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 77' ' ' THR . 34.6 t -104.23 113.97 27.88 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.337 -0.986 . . . . 75.13 108.337 171.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -70.92 104.51 2.97 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.415 -0.957 . . . . 71.14 108.415 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.13 134.15 84.24 Favored Pre-proline 0 CA--C 1.548 0.904 0 O-C-N 124.352 1.033 . . . . 72.4 110.385 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.408 ' HG3' HG21 ' A' ' 118' ' ' THR . 93.0 Cg_endo -75.99 133.14 14.82 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.343 2.028 . . . . 75.1 111.715 -175.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.3 152.91 36.36 Favored 'Trans proline' 0 C--N 1.374 1.881 0 C-N-CA 122.391 2.06 . . . . 75.2 112.547 173.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -58.99 -26.76 64.78 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.799 0.84 . . . . 74.44 112.144 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.31 -25.06 66.87 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.484 1.114 . . . . 73.33 112.579 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.417 HD21 ' HA ' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -118.72 29.26 7.83 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.697 0.76 . . . . 73.15 110.83 -177.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -92.2 102.3 14.81 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 107.325 -1.361 . . . . 75.42 107.325 165.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.55 126.66 92.94 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.637 0.775 . . . . 65.22 109.367 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -81.48 43.61 1.56 Allowed 'Trans proline' 0 C--N 1.371 1.728 0 C-N-CA 122.756 2.304 . . . . 75.21 112.483 174.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -143.21 148.7 36.89 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.498 1.519 . . . . 72.42 107.053 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.527 ' HB1' HG21 ' A' ' 121' ' ' THR . . . -94.75 122.59 37.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.145 0.578 . . . . 75.42 109.985 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.73 104.76 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 108.182 -1.044 . . . . 75.21 108.182 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' THR . . . . . 0.489 ' HB ' HG23 ' A' ' 121' ' ' THR . 10.1 t -117.67 113.03 21.3 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 108.835 -0.802 . . . . 75.42 108.835 171.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 105.84 -1.911 . . . . 75.13 105.84 166.211 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.9 tt . . . . . 0 CA--C 1.568 1.648 0 N-CA-C 109.29 -0.633 . . . . 74.23 109.29 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -66.56 127.16 16.7 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 121.868 1.712 . . . . 73.31 110.776 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mt 179.52 -47.43 0.0 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.814 1.246 . . . . 71.33 108.359 -166.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -79.79 27.1 0.55 Allowed 'Trans proline' 0 C--N 1.402 3.346 0 C-N-CA 122.215 1.943 . . . . 75.21 112.384 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -66.4 -17.15 22.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 C-N-CA 123.844 0.857 . . . . 74.23 110.346 171.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 148' ' ' ALA . 12.4 t -85.6 30.26 0.65 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.723 1.209 . . . . 75.12 110.662 168.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 44.48 -150.34 0.05 Allowed 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 114.073 1.138 . . . . 71.13 114.073 -173.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -120.87 150.27 41.31 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 106.072 -1.825 . . . . 71.01 106.072 172.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -38.47 -44.71 0.96 Allowed 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 115.981 1.845 . . . . 74.02 115.981 -163.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -67.66 -53.29 29.01 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.492 0.317 . . . . 73.43 110.702 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -62.56 -33.98 76.03 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.863 0.865 . . . . 74.33 111.461 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.453 ' O ' HG13 ' A' ' 19' ' ' ILE . 31.5 t90 -69.0 -52.74 25.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.835 1.254 . . . . 75.31 109.816 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.6 ttp-105 -58.14 -37.09 73.97 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.208 0.942 . . . . 74.41 110.325 175.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.31 90.63 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.692 0.62 . . . . 73.13 112.281 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 18.4 mmt180 -63.55 -48.25 78.26 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 118.389 0.541 . . . . 74.02 110.252 176.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.568 HG22 HG13 ' A' ' 54' ' ' ILE . 33.2 mt -60.69 -48.14 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 123.597 0.56 . . . . 72.12 110.841 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.79 -43.95 73.32 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.652 1.22 . . . . 72.52 111.645 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.73 97.18 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.515 0.726 . . . . 75.12 111.667 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -76.78 -26.83 54.92 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.553 0.741 . . . . 74.45 110.992 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -71.57 -53.47 13.67 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.136 -1.061 . . . . 74.43 108.136 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.98 98.02 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 124.857 1.348 . . . . 74.55 111.032 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.47 -58.3 8.7 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 123.959 0.787 . . . . 74.15 110.655 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -30.25 70.56 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.598 0.562 . . . . 75.13 111.242 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' HA ' HD22 ' A' ' 49' ' ' LEU . 11.6 t70 -66.66 -55.61 14.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.149 0.579 . . . . 75.23 109.973 177.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HA ' ' HZ ' ' A' ' 46' ' ' PHE . 11.4 pt-20 -79.81 -13.94 59.05 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 118.96 -0.543 . . . . 75.12 111.693 -176.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 35.3 t80 -49.47 -55.43 13.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.847 1.259 . . . . 71.42 111.795 -170.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.738 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.96 -11.56 60.83 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 114.362 -1.29 . . . . 74.23 111.37 -172.13 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.57 -56.33 3.06 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.67 0.788 . . . . 62.34 110.934 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.5 p -105.31 9.16 33.97 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.323 1.049 . . . . 61.34 112.95 -166.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 10.0 m170 -126.64 119.41 26.97 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.16 -0.681 . . . . 70.0 109.16 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.26 -14.21 60.17 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.116 1.366 . . . . 65.03 112.81 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -61.07 -33.23 73.01 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.697 0.799 . . . . 72.04 112.408 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 69.4 m -159.26 92.62 1.85 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 107.904 -1.147 . . . . 74.53 107.904 -173.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.69 149.17 60.52 Favored 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 122.384 2.056 . . . . 75.21 112.369 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.738 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 16.0 tt -87.91 139.82 31.02 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 107.985 -1.117 . . . . 73.55 107.985 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.64 141.72 91.16 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.107 1.871 . . . . 62.15 111.672 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -59.48 -27.42 84.93 Favored 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 123.421 2.747 . . . . 65.54 114.524 -166.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.36 83.0 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.267 0.227 . . . . 74.25 110.452 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.511 ' HB2' HG12 ' A' ' 38' ' ' ILE . 31.6 m-20 -73.46 -37.6 65.74 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 122.863 0.465 . . . . 74.23 110.05 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HB2' HG21 ' A' ' 38' ' ' ILE . 11.5 tpt180 -57.51 -32.43 67.03 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.31 1.044 . . . . 75.31 111.664 175.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.67 -44.52 96.27 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 123.541 0.526 . . . . 74.45 112.086 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.58 15.88 15.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.478 0.711 . . . . 72.02 112.198 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.431 ' HZ ' ' HA ' ' A' ' 28' ' ' GLU . 82.9 t80 -74.14 103.23 4.51 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.138 0.494 . . . . 71.31 110.106 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -139.82 11.34 2.45 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.607 1.163 . . . . 75.23 109.083 173.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 130.65 145.92 5.8 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 110.586 -1.005 . . . . 61.5 110.586 -169.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -131.96 -169.21 2.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.749 0.819 . . . . 75.4 110.576 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -73.31 119.68 17.88 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.66 0.743 . . . . 70.21 112.9 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -147.95 142.98 27.0 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 106.912 -1.514 . . . . 72.42 106.912 161.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -97.28 172.01 8.06 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.725 0.41 . . . . 73.12 110.347 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.33 171.33 10.11 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.946 0.779 . . . . 74.41 111.692 -171.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.568 HG13 HG22 ' A' ' 19' ' ' ILE . 3.6 mp -81.61 131.78 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 114.852 -1.067 . . . . 72.43 109.378 175.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -124.01 110.47 14.82 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.821 -0.807 . . . . 72.42 108.821 171.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.15 -21.47 56.53 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.112 0.965 . . . . 62.42 112.342 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.5 t -80.85 -19.33 44.78 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.875 0.47 . . . . 73.44 111.012 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.572 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 22.8 m-85 -85.79 16.81 3.75 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.456 0.702 . . . . 75.24 111.405 170.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -85.89 97.79 10.42 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 107.765 -1.198 . . . . 74.34 107.765 167.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.2 m -101.26 142.97 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 109.06 -0.719 . . . . 75.21 109.06 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.75 124.82 29.95 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.41 -0.959 . . . . 72.04 108.41 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.658 ' HB2' ' HB3' ' A' ' 91' ' ' LEU . . . -110.81 118.86 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.511 -0.551 . . . . 74.24 109.511 -175.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -74.25 111.94 9.92 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.535 -0.913 . . . . 72.21 108.535 -172.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -78.18 117.39 19.42 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-N 114.875 -1.057 . . . . 75.32 110.029 -172.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -118.92 114.47 35.37 Favored Pre-proline 0 C--O 1.217 -0.627 0 N-CA-C 107.324 -1.361 . . . . 73.23 107.324 168.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.23 152.87 80.08 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 121.853 1.702 . . . . 72.32 110.985 175.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.52 117.22 7.69 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.051 -0.722 . . . . 75.23 109.051 174.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -54.49 -35.91 63.61 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.306 1.004 . . . . 73.12 110.926 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -135.88 101.71 10.46 Favored Pre-proline 0 C--O 1.245 0.832 0 CA-C-N 115.133 -0.939 . . . . 75.42 108.937 168.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.75 124.09 11.12 Favored 'Trans proline' 0 C--N 1.372 1.787 0 C-N-CA 122.384 2.056 . . . . 72.41 111.862 173.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -132.85 156.55 46.98 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.706 0.802 . . . . 74.54 109.897 -174.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.13 108.98 13.03 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 123.216 0.606 . . . . 75.03 109.573 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.3 m -105.89 151.88 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 108.102 -1.073 . . . . 74.15 108.102 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 119.98 41.11 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.922 -0.77 . . . . 74.42 108.922 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -103.08 128.29 50.02 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.034 -1.469 . . . . 75.33 107.034 174.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.73 150.28 48.76 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.187 -0.671 . . . . 74.23 109.187 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.1 p -117.11 172.53 7.22 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 121.086 0.469 . . . . 72.01 110.761 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.5 p -89.79 -31.56 17.34 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.959 -1.018 . . . . 74.24 110.267 176.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 165' ' ' PHE . 37.5 ttt180 -73.77 -30.73 62.94 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.885 0.874 . . . . 74.51 112.499 -177.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.09 -122.74 1.09 Allowed Glycine 0 C--N 1.345 1.069 0 CA-C-O 118.701 -1.055 . . . . 73.03 113.04 -174.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -62.92 155.13 62.18 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 123.617 2.878 . . . . 74.51 113.204 -173.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.59 132.74 36.64 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.543 2.162 . . . . 73.0 112.472 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.49 117.23 27.29 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.174 -0.921 . . . . 75.34 108.879 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -89.9 130.23 36.15 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.571 0.348 . . . . 71.13 110.536 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.442 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 81.6 m-85 -131.53 153.37 49.9 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.093 0.957 . . . . 73.54 109.09 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.3 m -91.39 119.41 31.37 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 109.166 -0.679 . . . . 74.41 109.166 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -68.13 111.92 4.77 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.86 0.754 . . . . 74.5 109.3 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 106' ' ' ARG . . . -94.71 -39.64 10.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.0 0.52 . . . . 74.2 111.634 -171.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 104' ' ' ALA . . . -151.47 170.02 20.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.487 0.66 . . . . 75.05 110.612 -172.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.27 115.09 13.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 C-N-CA 125.866 1.666 . . . . 74.34 106.817 172.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . 2.6 mm? -90.16 128.65 36.4 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.427 0.691 . . . . 75.33 109.536 177.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.23 121.52 4.46 Favored Glycine 0 C--O 1.218 -0.848 0 N-CA-C 111.042 -0.823 . . . . 61.04 111.042 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.582 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 54.3 p90 -144.49 -173.74 4.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.24 0.616 . . . . 74.44 109.459 -172.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -133.15 146.73 51.84 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.076 0.465 . . . . 71.44 110.17 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 38.7 tp -142.83 135.22 27.54 Favored 'General case' 0 C--O 1.256 1.434 0 N-CA-C 107.066 -1.457 . . . . 74.32 107.066 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.48 -97.57 0.62 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 112.283 -0.327 . . . . 72.44 112.283 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -134.72 5.02 3.37 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.481 1.112 . . . . 71.25 110.303 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.8 m -128.7 149.98 50.45 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 112.146 0.425 . . . . 73.44 112.146 -168.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -87.97 124.53 33.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.517 -0.765 . . . . 74.22 109.443 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.455 ' CE1' ' HD2' ' A' ' 177' ' ' PRO . 96.3 m-70 -121.53 136.48 54.95 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.963 0.905 . . . . 70.33 109.017 -177.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 m -127.95 119.49 25.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.295 0.638 . . . . 74.44 109.33 -175.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -114.22 139.07 49.68 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.813 1.245 . . . . 74.03 108.595 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.3 m -90.74 130.48 36.72 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.386 -0.598 . . . . 64.22 109.386 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . . . -98.01 121.9 40.48 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.728 0.811 . . . . 62.35 108.92 175.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 65.6 m-85 -97.62 168.77 10.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.261 -0.644 . . . . 75.23 109.261 175.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.555 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 22.0 ttt180 -115.67 133.3 56.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.691 1.196 . . . . 75.53 108.066 -175.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.734 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 28.6 t -97.56 113.7 32.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 N-CA-C 107.054 -1.462 . . . . 73.23 107.054 166.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -55.58 125.98 23.39 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 122.932 0.493 . . . . 73.23 110.797 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 94.79 -34.01 5.02 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.627 -0.715 . . . . 61.21 112.327 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.734 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 11.1 tp10 -83.89 129.37 34.93 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.453 0.701 . . . . 73.33 110.055 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -75.56 -22.79 56.72 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.546 0.739 . . . . 74.45 111.831 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.2 m -85.91 140.72 30.12 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.848 0.459 . . . . 75.05 110.017 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.3 mt -82.14 141.51 33.02 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.282 0.633 . . . . 74.43 109.303 174.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -100.42 110.63 22.84 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.222 -1.029 . . . . 74.5 108.222 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.1 t -107.85 93.18 10.11 Favored Pre-proline 0 N--CA 1.47 0.536 0 N-CA-C 108.655 -0.868 . . . . 71.24 108.655 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.97 120.36 5.01 Favored 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.202 1.935 . . . . 64.44 109.749 171.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -138.0 171.89 13.75 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.966 0.906 . . . . 75.35 110.212 -176.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -138.61 169.01 18.55 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.67 1.188 . . . . 64.3 108.083 172.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 176' ' ' VAL . 3.8 p-10 -156.04 -163.29 1.45 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 123.693 0.62 . . . . 72.21 109.731 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -78.56 -35.15 46.41 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.727 0.694 . . . . 74.34 111.408 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.41 ' HG1' ' H ' ' A' ' 180' ' ' ILE . 23.5 m -59.61 -38.41 81.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.641 0.777 . . . . 73.34 111.333 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.554 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 57.4 p -66.02 -42.17 90.02 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 116.026 -0.533 . . . . 74.53 111.168 174.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.54 -15.2 62.75 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.685 0.794 . . . . 73.23 112.852 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -72.38 -22.42 61.14 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.849 0.314 . . . . 74.32 111.849 172.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.08 9.12 87.38 Favored Glycine 0 C--N 1.348 1.209 0 N-CA-C 111.177 -0.769 . . . . 74.53 111.177 -163.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -78.84 -28.59 44.34 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.316 1.446 . . . . 75.13 109.581 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.2 p -137.11 -178.13 5.07 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.449 1.5 . . . . 74.33 107.59 164.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.485 ' HB2' ' HD2' ' A' ' 132' ' ' ARG . 15.1 m-85 -80.06 110.38 15.4 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 112.91 0.708 . . . . 75.43 112.91 -169.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.554 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 13.6 pt-20 -66.37 -17.95 65.07 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.374 1.07 . . . . 72.01 112.986 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.409 ' O ' HD11 ' A' ' 169' ' ' LEU . 72.3 m80 -73.38 -2.26 21.54 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.602 0.361 . . . . 75.1 111.866 177.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.471 ' O ' ' SG ' ' A' ' 167' ' ' CYS . . . 97.95 144.01 16.08 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 111.601 -0.6 . . . . 74.03 111.601 166.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.485 ' HD2' ' HB2' ' A' ' 128' ' ' TYR . 2.6 mmp_? -131.72 159.23 39.0 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.602 1.161 . . . . 74.44 108.572 -166.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.3 166.47 12.29 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.543 0.687 . . . . 74.45 110.796 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.4 tt -140.63 122.36 15.33 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 106.288 -1.745 . . . . 73.51 106.288 164.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -92.04 108.11 19.7 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.394 -0.965 . . . . 74.43 108.394 -176.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 51.9 t -113.17 127.16 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 115.675 -0.693 . . . . 74.52 109.831 -169.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.08 107.44 57.13 Favored Pre-proline 0 C--O 1.24 0.585 0 N-CA-C 107.947 -1.131 . . . . 74.32 107.947 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.497 ' HA ' HG13 ' A' ' 147' ' ' VAL . 88.6 Cg_endo -77.97 -8.25 16.59 Favored 'Trans proline' 0 C--N 1.364 1.374 0 C-N-CA 122.508 2.139 . . . . 72.24 113.636 -177.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.74 -90.76 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.172 1.389 . . . . 73.4 111.032 -174.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -141.74 53.32 0.64 Allowed Glycine 0 C--N 1.341 0.851 0 N-CA-C 111.856 -0.498 . . . . 74.1 111.856 173.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -80.14 139.01 37.0 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.275 0.63 . . . . 71.45 110.879 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -114.89 174.09 6.15 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 108.461 -0.94 . . . . 74.44 108.461 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.68 114.88 7.3 Favored Glycine 0 C--N 1.349 1.278 0 N-CA-C 111.905 -0.478 . . . . 51.04 111.905 176.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 112.66 -16.47 23.75 Favored Glycine 0 N--CA 1.468 0.789 0 O-C-N 123.729 0.311 . . . . 74.32 112.624 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -80.25 -170.5 2.55 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.817 -0.438 . . . . 63.44 109.817 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -147.39 160.99 41.92 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.432 0.634 . . . . 72.4 110.632 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . 0.497 HG13 ' HA ' ' A' ' 138' ' ' PRO . 15.9 m -139.91 143.81 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.884 1.274 . . . . 72.24 108.109 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.456 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -77.8 115.98 17.97 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.905 0.383 . . . . 62.12 110.792 -173.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 14.8 mt -95.05 85.71 4.41 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 108.25 -1.019 . . . . 74.53 108.25 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.42 ' HB2' HD23 ' A' ' 153' ' ' LEU . 2.5 m-20 -75.31 102.82 5.21 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 107.6 -1.259 . . . . 74.33 107.6 167.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.572 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 26.6 m-85 -65.61 -16.37 63.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.28 0.632 . . . . 71.32 111.995 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -71.53 -17.85 62.3 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 122.14 0.176 . . . . 64.22 111.334 175.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 150' ' ' ASP . 2.9 mm? -93.05 13.46 20.73 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.273 0.629 . . . . 73.24 111.683 172.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.83 120.46 6.86 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.826 -0.435 . . . . 71.43 109.826 172.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -97.54 135.82 38.83 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.807 0.843 . . . . 74.42 110.028 -171.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -117.08 127.53 26.64 Favored Pre-proline 0 C--O 1.24 0.587 0 CA-C-N 114.976 -1.011 . . . . 72.43 108.976 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -48.47 164.03 0.23 Allowed 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 123.284 2.656 . . . . 73.44 113.892 166.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -75.08 0.68 15.29 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.786 -1.097 . . . . 75.43 113.037 -171.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 29.8 p -65.06 -22.67 67.0 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.444 0.698 . . . . 74.43 111.172 172.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.453 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . . . -82.21 -17.06 47.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.036 0.535 . . . . 53.43 110.676 174.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -101.44 -13.35 17.99 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.557 1.143 . . . . 73.42 110.375 -173.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 125.11 -26.98 5.46 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 119.799 -0.445 . . . . 62.21 113.481 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -90.47 142.14 16.19 Favored Glycine 0 N--CA 1.479 1.548 0 CA-C-N 117.607 0.703 . . . . 75.25 112.928 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 23.8 p -91.49 86.22 5.98 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.02 0.91 . . . . 73.53 109.999 -176.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 79' ' ' ARG . 96.7 m-85 -113.64 160.43 18.59 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.57 0.748 . . . . 75.42 110.825 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 20.5 p -71.6 140.72 49.9 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.926 0.89 . . . . 61.24 112.37 -171.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 131' ' ' GLY . 47.3 t -133.59 129.06 36.45 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.973 -0.751 . . . . 61.03 108.973 173.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.81 113.4 10.91 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 124.27 0.981 . . . . 65.0 109.433 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.409 HD11 ' O ' ' A' ' 130' ' ' HIS . 4.2 mm? -58.87 120.71 48.75 Favored Pre-proline 0 CA--C 1.545 0.782 0 O-C-N 124.125 0.891 . . . . 74.21 109.018 171.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.74 153.13 73.69 Favored 'Trans proline' 0 C--N 1.365 1.445 0 C-N-CA 122.463 2.108 . . . . 75.1 112.504 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.61 149.63 90.47 Favored 'Trans proline' 0 C--N 1.372 1.768 0 C-N-CA 121.93 1.754 . . . . 74.05 110.433 164.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -53.73 -27.25 27.27 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.9 1.074 . . . . 64.1 113.9 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -79.26 -17.65 54.31 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 122.92 0.488 . . . . 74.12 111.159 -178.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.59 4.73 30.87 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.111 0.565 . . . . 71.4 110.899 173.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -88.81 116.55 27.17 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 108.156 -1.053 . . . . 70.13 108.156 171.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 119' ' ' ASP . 58.7 t -92.34 114.0 60.98 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.39 1.076 . . . . 72.5 109.05 177.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.455 ' HD2' ' CE1' ' A' ' 100' ' ' HIS . 35.6 Cg_exo -67.23 58.42 0.64 Allowed 'Trans proline' 0 CA--C 1.563 1.926 0 C-N-CA 122.826 2.35 . . . . 73.52 113.422 167.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -148.83 146.16 27.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.679 1.191 . . . . 65.45 107.881 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -90.58 108.28 19.7 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.04 0.536 . . . . 70.41 109.939 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . 0.519 HG22 ' HB3' ' A' ' 151' ' ' PHE . 3.3 mp -96.8 97.05 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.16 -1.052 . . . . 74.02 108.16 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 18.4 p -95.38 65.6 2.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.149 0.976 . . . . 74.43 109.728 174.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-N 114.401 -1.272 . . . . 73.02 108.334 177.323 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.4 tt . . . . . 0 CA--C 1.564 1.489 0 N-CA-C 108.55 -0.907 . . . . 73.31 108.55 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 146' ' ' GLU . 18.1 Cg_endo -65.56 126.88 16.91 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 122.587 2.191 . . . . 74.15 110.872 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.5 mt -154.82 -56.17 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 125.223 1.409 . . . . 70.41 108.975 -173.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -89.45 37.38 0.38 Allowed 'Trans proline' 0 C--N 1.397 3.09 0 C-N-CA 122.12 1.88 . . . . 73.54 111.349 176.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -61.7 -17.9 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.287 1.035 . . . . 75.22 111.056 170.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.91 105.42 17.56 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 105.664 -1.976 . . . . 70.34 105.664 158.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.02 -75.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.383 0.673 . . . . 64.45 111.215 -165.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -139.78 161.27 37.96 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 125.118 1.367 . . . . 75.33 107.986 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -51.38 -34.77 35.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.095 0.958 . . . . 70.2 112.57 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.32 -59.56 5.09 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.514 0.726 . . . . 71.41 110.576 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.42 94.25 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.11 0.964 . . . . 64.41 110.811 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.494 ' O ' HG13 ' A' ' 19' ' ' ILE . 50.1 t90 -61.87 -63.71 1.17 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.604 1.561 . . . . 74.42 110.022 -177.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 ttm-85 -58.48 -41.0 84.29 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.326 1.05 . . . . 73.12 110.761 -177.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.55 97.24 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 123.898 0.749 . . . . 63.42 111.758 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -62.11 -46.73 87.76 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.705 0.802 . . . . 74.35 111.184 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 15' ' ' TRP . 9.7 mt -72.67 -39.0 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 123.506 0.504 . . . . 74.31 111.045 -174.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.83 95.87 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.885 0.741 . . . . 72.32 109.842 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.45 73.23 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 124.117 0.886 . . . . 75.3 111.233 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -70.92 -50.17 37.76 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.238 1.015 . . . . 63.04 111.196 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -71.37 -34.5 70.5 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.055 -0.521 . . . . 72.55 110.436 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 -34.27 71.77 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 122.146 0.178 . . . . 74.33 110.757 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -57.25 -50.62 72.31 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.802 0.841 . . . . 62.42 110.894 172.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -64.93 -38.67 91.74 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-O 118.923 -0.56 . . . . 73.51 110.799 177.144 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.454 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -52.79 -52.14 57.91 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.187 0.595 . . . . 75.01 111.393 176.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -77.26 -27.45 53.21 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.466 0.479 . . . . 74.33 111.543 -177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -57.58 -64.88 0.75 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.221 0.608 . . . . 71.5 111.763 -175.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.46 HD23 HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -77.64 -8.09 57.38 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 112.382 0.512 . . . . 73.54 112.382 -176.484 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.71 -39.35 24.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.89 0.476 . . . . 74.31 110.653 173.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.1 p -107.64 -57.09 2.14 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.455 0.539 . . . . 72.31 112.455 -175.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -58.53 144.97 40.82 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.772 0.829 . . . . 64.25 113.074 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -78.6 -22.14 47.49 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 114.165 -1.38 . . . . 74.44 111.005 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -60.01 -30.35 69.09 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.65 1.18 . . . . 72.21 112.621 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -144.39 100.74 4.79 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 106.682 -1.599 . . . . 72.44 106.682 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.49 ' O ' ' HA3' ' A' ' 163' ' ' GLY . 74.0 Cg_endo -82.29 145.5 13.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 121.732 1.621 . . . . 75.21 112.297 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.46 HD11 HD23 ' A' ' 30' ' ' LEU . 32.8 mt -90.32 136.22 28.76 Favored Pre-proline 0 N--CA 1.48 1.029 0 N-CA-C 106.675 -1.602 . . . . 73.53 106.675 159.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.04 143.98 95.47 Favored 'Trans proline' 0 C--N 1.387 2.601 0 C-N-CA 122.733 2.289 . . . . 72.1 111.546 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -54.21 -36.37 85.72 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.175 2.583 . . . . 73.33 113.303 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.9 -50.14 63.38 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 123.764 0.665 . . . . 65.01 111.566 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.12 -23.79 62.16 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.51 0.724 . . . . 74.03 111.902 -177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -63.8 -26.77 68.78 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.271 0.628 . . . . 74.44 110.969 175.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.41 -37.81 95.26 Favored Glycine 0 C--N 1.354 1.535 0 N-CA-C 112.059 -0.416 . . . . 64.24 112.059 173.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.99 -10.85 59.66 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.366 0.876 . . . . 61.54 113.366 174.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -77.53 106.58 9.4 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 118.614 0.643 . . . . 74.12 110.062 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -109.97 -37.13 5.69 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 106.909 -1.515 . . . . 73.32 106.909 163.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.75 146.62 7.99 Favored Glycine 0 C--O 1.246 0.882 0 N-CA-C 108.795 -1.722 . . . . 71.53 108.795 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.22 118.39 5.43 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 123.041 0.536 . . . . 73.33 109.896 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -73.75 127.05 31.76 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.313 -0.995 . . . . 75.53 108.313 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.81 171.95 15.94 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 123.815 0.697 . . . . 71.52 112.6 -170.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -77.79 156.67 30.37 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 114.23 -1.35 . . . . 64.33 109.842 173.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -97.05 177.55 5.56 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.375 -0.829 . . . . 70.12 111.089 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.9 mm -85.33 112.86 22.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.432 -0.804 . . . . 72.52 110.476 -165.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -122.6 127.48 49.47 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.186 0.594 . . . . 75.32 111.237 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.55 -15.22 58.08 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.586 1.154 . . . . 75.21 113.742 -171.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -68.3 -20.49 64.76 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 118.231 0.469 . . . . 73.51 111.076 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -73.06 8.42 1.61 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.082 0.953 . . . . 74.35 113.453 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.453 ' HD3' ' HB3' ' A' ' 150' ' ' ASP . 11.8 tpp180 -78.74 94.06 5.05 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.462 0.705 . . . . 72.34 109.95 -176.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 m -102.03 143.24 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 108.917 -0.771 . . . . 72.12 108.917 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.47 130.48 40.83 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.873 -0.788 . . . . 71.41 108.873 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.69 135.62 55.07 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.89 0.476 . . . . 72.54 110.654 -174.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -74.91 120.4 20.39 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.55 0.74 . . . . 73.32 109.59 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -88.2 125.02 34.41 Favored 'General case' 0 C--O 1.247 0.927 0 C-N-CA 124.021 0.928 . . . . 70.11 109.864 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -131.56 104.9 14.45 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.861 0.864 . . . . 75.23 109.45 172.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -69.53 148.93 67.69 Favored 'Trans proline' 0 C--N 1.371 1.716 0 C-N-CA 121.946 1.764 . . . . 72.12 110.042 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.73 102.38 8.06 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.884 -0.784 . . . . 71.41 108.884 -176.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -59.23 -24.89 63.55 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.898 0.879 . . . . 73.44 110.507 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -123.67 84.03 53.7 Favored Pre-proline 0 CA--C 1.558 1.257 0 C-N-CA 124.901 1.28 . . . . 74.14 108.44 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -81.88 132.32 7.44 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.173 1.915 . . . . 71.04 111.761 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 86' ' ' THR . 12.7 pt-20 -140.4 157.37 45.64 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.056 0.542 . . . . 72.04 110.589 -177.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.85 113.02 21.06 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 123.848 0.717 . . . . 72.24 109.283 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 17.1 m -105.91 156.26 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.377 1.071 . . . . 74.53 108.536 178.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.611 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 43.6 mt-10 -109.87 107.79 17.86 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 123.518 0.727 . . . . 62.12 109.462 -171.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' A' ' 170' ' ' PRO . 1.2 mm? -101.76 134.44 44.92 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.47 -1.307 . . . . 74.51 107.47 177.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.25 149.55 49.35 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.013 -0.736 . . . . 74.53 109.013 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.3 p -119.15 168.41 10.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.797 0.439 . . . . 74.3 110.568 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.3 p -89.98 -23.94 21.38 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.057 -0.974 . . . . 73.45 109.87 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -32.92 72.29 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.022 0.929 . . . . 74.33 111.667 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.91 -123.86 1.28 Allowed Glycine 0 CA--C 1.523 0.569 0 CA-C-O 118.09 -1.395 . . . . 51.11 111.19 -174.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -64.6 147.84 90.24 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.95 2.434 . . . . 72.04 111.974 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -58.13 145.45 92.3 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 123.136 2.557 . . . . 74.41 113.217 -174.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.92 129.72 44.33 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 123.831 0.852 . . . . 63.34 109.658 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.611 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 45.9 mt-10 -93.03 121.22 34.14 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.024 0.53 . . . . 74.51 109.954 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.459 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 60.6 m-85 -123.69 141.79 51.69 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.249 -1.019 . . . . 74.14 108.249 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 71' ' ' GLU . 37.1 m -84.64 144.08 28.82 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.869 -0.419 . . . . 63.13 109.869 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.7 mtm105 -75.19 108.74 8.15 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.011 -0.737 . . . . 75.34 109.011 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 106' ' ' ARG . . . -87.49 -48.06 8.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.185 0.594 . . . . 75.34 111.51 178.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -152.54 173.68 14.86 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.303 0.641 . . . . 74.22 110.385 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.1 t -136.05 125.07 38.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.067 0 C-N-CA 124.761 1.224 . . . . 72.22 107.742 173.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.15 123.6 48.27 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.814 0.846 . . . . 74.52 110.79 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.87 121.12 5.74 Favored Glycine 0 N--CA 1.476 1.358 0 CA-C-O 119.596 -0.558 . . . . 73.23 112.263 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -152.87 -174.31 4.88 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 117.761 0.781 . . . . 75.25 110.479 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.516 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 7.9 p-10 -138.38 157.68 45.75 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.754 0.822 . . . . 72.12 110.217 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.4 tp -160.27 140.31 11.42 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.443 1.097 . . . . 74.12 108.804 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.83 -107.23 1.92 Allowed Glycine 0 C--N 1.351 1.4 0 N-CA-C 112.293 -0.323 . . . . 75.33 112.293 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.76 6.82 9.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.31 1.044 . . . . 64.24 110.152 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.3 m -132.87 131.33 40.84 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.561 0.578 . . . . 75.3 112.561 -171.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 6.4 p80 -88.2 137.54 32.24 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.673 -0.862 . . . . 73.42 108.673 170.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -141.54 151.01 42.86 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.463 0.649 . . . . 65.44 110.271 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.1 m -125.63 119.23 27.49 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.23 -1.35 . . . . 74.42 107.602 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 84.3 mt -107.72 150.83 26.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.486 0.714 . . . . 64.14 110.096 -175.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.6 m -93.23 126.69 38.47 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.929 -0.767 . . . . 73.51 108.929 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -95.83 125.13 40.19 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.32 1.048 . . . . 70.32 108.519 174.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.459 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 29.3 m-85 -98.96 155.51 17.38 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.917 0.389 . . . . 75.02 110.782 -177.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.473 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 78.8 ttt180 -92.87 115.68 28.34 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.332 -0.988 . . . . 74.02 108.332 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.17 108.72 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.6 -1.259 . . . . 75.52 107.6 169.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.91 138.93 57.7 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.955 -1.02 . . . . 71.25 110.763 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 87.97 -25.41 8.81 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 116.33 -0.395 . . . . 43.21 112.847 -174.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -106.16 127.3 53.11 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.619 1.168 . . . . 75.33 109.853 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.3 t -73.76 -18.79 60.93 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.179 0.992 . . . . 73.43 111.901 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 48.7 m -84.03 140.04 32.12 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.016 0.526 . . . . 72.43 109.692 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . 31.5 mt -82.06 145.63 30.09 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.356 1.063 . . . . 75.34 109.037 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.52 102.44 10.79 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.721 -0.844 . . . . 72.22 108.721 -171.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.7 t -105.14 104.18 45.79 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 123.575 0.75 . . . . 74.12 110.16 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -91.16 128.07 1.2 Allowed 'Trans proline' 0 C--N 1.368 1.596 0 C-N-CA 123.127 2.551 . . . . 75.32 112.272 174.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.627 ' HA ' ' HB2' ' A' ' 174' ' ' ASN . 21.4 p90 -146.7 172.71 13.2 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.655 0.782 . . . . 74.21 110.224 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 39.7 p -133.56 168.64 18.29 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 108.555 -0.906 . . . . 72.42 108.555 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -162.81 -165.06 1.07 Allowed 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.23 0.331 . . . . 74.2 111.777 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.25 -31.55 43.55 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.424 0.528 . . . . 73.23 112.424 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.3 m -70.72 -34.48 71.94 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.026 0.531 . . . . 74.03 110.627 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.687 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 20.9 p -68.58 -40.39 80.56 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 115.72 -0.673 . . . . 74.34 110.433 170.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.73 -32.3 70.42 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.971 0.908 . . . . 72.13 111.907 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -63.31 -21.35 66.2 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.8 0.84 . . . . 74.34 112.981 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 70.36 8.56 62.7 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 123.454 0.471 . . . . 74.52 113.921 -172.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.534 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 5.4 mmp_? -92.59 -4.86 52.73 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.989 0.515 . . . . 73.12 110.4 175.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 28.7 p -129.33 155.93 44.84 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 106.27 -1.752 . . . . 65.42 106.27 156.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -63.4 115.07 4.28 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.009 0.433 . . . . 74.31 110.941 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.687 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 1.7 pp20? -70.24 -12.75 61.81 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.276 1.03 . . . . 74.41 113.283 -174.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.462 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 25.0 m80 -66.65 -20.65 66.03 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 123.355 0.409 . . . . 72.43 111.068 -172.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 157' ' ' PRO . . . 163.56 146.07 4.59 Favored Glycine 0 C--N 1.338 0.685 0 CA-C-N 115.799 -0.637 . . . . 62.21 111.667 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.452 ' HD2' ' HB2' ' A' ' 154' ' ' ALA . 10.1 tpp180 -112.48 141.87 45.71 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.179 -1.415 . . . . 72.34 107.179 168.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -111.1 170.54 8.04 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.81 0.732 . . . . 74.21 110.516 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.2 tt -149.84 122.77 8.76 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 106.431 -1.692 . . . . 72.13 106.431 167.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -96.78 103.66 15.6 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 107.906 -1.146 . . . . 60.52 107.906 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.0 t -99.77 124.57 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 115.057 -0.974 . . . . 74.15 110.38 -171.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -86.0 118.84 71.19 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 108.109 -1.071 . . . . 62.31 108.109 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.1 -32.04 75.31 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.779 2.319 . . . . 73.3 112.974 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 47.25 43.4 14.78 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.426 1.09 . . . . 72.31 113.27 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 66.26 33.61 85.58 Favored Glycine 0 C--N 1.347 1.142 0 N-CA-C 114.78 0.672 . . . . 73.11 114.78 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -83.3 158.11 22.35 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.954 0.502 . . . . 74.32 110.686 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -143.63 -175.45 4.57 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 108.272 -1.01 . . . . 65.01 108.272 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -66.34 117.67 9.9 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 117.932 0.333 . . . . 54.14 112.44 -173.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.31 3.57 58.68 Favored Glycine 0 N--CA 1.467 0.732 0 O-C-N 123.742 0.319 . . . . 44.4 112.73 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -87.26 -178.37 6.19 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.966 -1.124 . . . . 74.2 107.966 164.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 5' ' ' PRO . 13.9 pt-20 -137.14 163.5 30.69 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.796 0.331 . . . . 70.44 110.477 174.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 21.6 m -134.22 153.87 36.6 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 C-N-CA 124.171 0.988 . . . . 61.54 108.994 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -82.09 113.87 20.24 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 108.987 -0.746 . . . . 73.02 108.987 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.9 mt -112.99 86.4 2.37 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.365 -0.976 . . . . 75.52 108.365 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.453 ' HB3' ' HD3' ' A' ' 59' ' ' ARG . 8.3 p-10 -99.72 123.94 44.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.311 -0.996 . . . . 54.35 108.311 171.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.463 ' HB3' HG23 ' A' ' 180' ' ' ILE . 58.9 m-85 -69.6 -12.33 61.56 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 114.465 -1.243 . . . . 73.41 113.484 -168.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . 0.478 HD21 HD12 ' A' ' 19' ' ' ILE . 3.2 p-10 -68.33 -8.42 39.77 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 111.858 0.318 . . . . 74.23 111.858 170.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.436 HD11 HG22 ' A' ' 19' ' ' ILE . 2.8 mm? -92.58 -0.41 57.32 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.611 0.764 . . . . 64.54 112.284 167.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . 0.452 ' HB2' ' HD2' ' A' ' 132' ' ' ARG . . . -52.28 127.68 22.85 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.535 0.522 . . . . 61.31 110.672 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -96.54 155.16 16.88 Favored 'General case' 0 C--O 1.255 1.343 0 CA-C-O 122.063 0.935 . . . . 74.3 109.698 -169.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . 0.519 HD22 ' HB3' ' A' ' 160' ' ' ALA . 0.2 OUTLIER -96.85 121.95 58.04 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 113.356 -1.747 . . . . 73.12 108.887 -168.308 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . 0.449 ' HG3' ' O ' ' A' ' 131' ' ' GLY . 65.9 Cg_endo -68.24 144.99 64.67 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.652 2.235 . . . . 71.21 110.654 173.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.463 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 27.0 m-85 -73.77 -11.51 60.41 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.677 0.621 . . . . 72.43 112.677 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 165' ' ' PHE . 30.4 p -60.82 -28.46 68.81 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.303 0.641 . . . . 73.04 111.31 169.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.519 ' HB3' HD22 ' A' ' 156' ' ' ASN . . . -81.33 5.16 18.19 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.718 1.007 . . . . 73.3 113.718 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . 0.463 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 52.6 m-85 -114.81 -8.49 12.59 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.081 0.552 . . . . 71.32 110.14 178.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 91.49 -51.88 3.04 Favored Glycine 0 C--N 1.352 1.438 0 CA-C-O 119.65 -0.528 . . . . 74.24 113.969 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . 0.49 ' HA3' ' O ' ' A' ' 37' ' ' PRO . . . -64.53 -97.73 0.02 OUTLIER Glycine 0 C--N 1.36 1.87 0 CA-C-O 119.202 -0.777 . . . . 62.14 114.305 -170.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.6 t -64.32 85.99 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.269 1.034 . . . . 71.15 109.469 166.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.539 ' HA ' ' HA ' ' A' ' 159' ' ' CYS . 26.8 p90 -84.12 76.53 10.07 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.749 0.785 . . . . 75.24 110.71 -171.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.8 p -119.27 117.24 28.06 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.283 0.633 . . . . 73.33 112.016 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 130' ' ' HIS . 28.1 p -147.4 147.24 30.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.198 0.999 . . . . 74.13 108.661 164.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -109.27 113.03 25.52 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.541 0.736 . . . . 54.15 109.83 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.2 mp -81.66 117.98 70.39 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 124.995 1.318 . . . . 72.12 109.861 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.444 ' HA ' HD11 ' A' ' 75' ' ' LEU . 1.1 Cg_endo -84.77 173.63 8.14 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 123.65 2.9 . . . . 63.45 112.316 176.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.15 156.7 28.46 Favored 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 122.465 2.11 . . . . 72.31 112.517 169.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -57.08 -12.98 2.44 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 115.743 1.757 . . . . 73.31 115.743 -168.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.71 -6.37 44.04 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 122.93 0.492 . . . . 71.34 111.434 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.627 ' HB2' ' HA ' ' A' ' 117' ' ' PHE . 23.8 p-10 -78.06 -10.14 59.47 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.517 0.727 . . . . 73.5 111.411 177.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -89.02 102.06 14.71 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 123.048 0.539 . . . . 73.14 109.962 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 53.7 t -79.95 118.55 73.0 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 107.804 -1.184 . . . . 72.21 107.804 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -75.88 62.11 6.48 Favored 'Trans proline' 0 C--N 1.371 1.712 0 C-N-CA 122.617 2.212 . . . . 73.41 112.02 175.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -151.42 155.99 39.74 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.723 1.209 . . . . 72.23 108.896 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -84.31 108.71 17.31 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.343 0.657 . . . . 72.32 110.016 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . 0.463 HG23 ' HB3' ' A' ' 151' ' ' PHE . 2.0 mp -97.25 89.31 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 104.859 -2.274 . . . . 71.44 104.859 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.52 65.85 7.84 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.237 -0.892 . . . . 73.4 110.019 -173.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.525 0 CA-C-N 114.271 -1.332 . . . . 75.24 107.45 175.351 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.1 tt . . . . . 0 CA--C 1.561 1.369 0 N-CA-C 107.204 -1.406 . . . . 73.24 107.204 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -61.11 124.77 15.5 Favored 'Trans proline' 0 C--N 1.378 2.097 0 CA-C-N 120.772 1.311 . . . . 74.33 112.003 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mt 172.78 -55.15 0.0 OUTLIER Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 125.607 1.563 . . . . 64.51 108.242 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -83.5 24.5 0.75 Allowed 'Trans proline' 0 C--N 1.406 3.568 0 C-N-CA 122.628 2.219 . . . . 71.54 112.238 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 m -63.89 -12.01 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.971 1.308 . . . . 74.15 112.181 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 t -88.17 33.66 0.74 Allowed 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 125.668 1.587 . . . . 74.12 110.479 170.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 26.4 -104.79 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 126.388 1.875 . . . . 75.22 114.066 -169.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -136.6 157.47 46.7 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 105.299 -2.111 . . . . 73.34 105.299 168.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 21.3 t70 -47.03 -42.15 17.81 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 113.135 0.791 . . . . 75.44 113.135 -173.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.79 -59.14 5.9 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.59 0.756 . . . . 74.13 111.588 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.31 97.33 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.028 -0.987 . . . . 74.24 111.512 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.485 ' O ' HG13 ' A' ' 19' ' ' ILE . 49.8 t90 -61.37 -44.49 97.07 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.946 1.298 . . . . 74.42 110.906 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 11.7 ttt85 -65.99 -44.32 85.19 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.516 1.126 . . . . 74.22 109.287 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.02 85.9 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 115.072 -0.967 . . . . 65.12 111.586 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -62.57 -47.66 82.87 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 123.005 0.522 . . . . 75.51 110.675 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.503 HG12 HD12 ' A' ' 153' ' ' LEU . 54.1 mt -60.95 -48.25 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.345 0.258 . . . . 73.42 110.407 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.47 -44.14 80.28 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 124.126 0.891 . . . . 73.42 110.888 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.9 -49.98 72.65 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.308 -0.86 . . . . 64.0 111.573 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -75.7 -30.34 59.28 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.831 0.852 . . . . 73.44 112.158 -175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -75.78 -42.79 49.2 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 108.627 -0.879 . . . . 71.21 108.627 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.01 -30.22 67.47 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.068 -0.969 . . . . 74.3 110.757 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.502 ' HA ' ' HG2' ' A' ' 28' ' ' GLU . 27.4 t70 -65.48 -41.32 93.43 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 123.381 0.426 . . . . 73.04 110.272 171.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -64.98 -37.64 88.33 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.717 0.407 . . . . 75.24 111.184 175.333 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.8 -42.23 86.3 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 122.831 0.452 . . . . 73.21 111.232 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.502 ' HG2' ' HA ' ' A' ' 25' ' ' ASP . 10.0 pt-20 -80.73 -24.4 38.78 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 119.113 -0.47 . . . . 73.12 112.06 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' HB3' HD12 ' A' ' 30' ' ' LEU . 56.0 t80 -49.85 -61.97 1.83 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.724 1.21 . . . . 73.34 111.344 -172.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.735 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.57 -4.48 31.0 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-N 115.093 -0.958 . . . . 73.25 112.244 -173.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.9 -43.16 9.11 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.576 0.75 . . . . 74.24 110.416 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.45 HG21 ' O ' ' A' ' 28' ' ' GLU . 14.7 t -121.4 33.19 5.61 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.821 0.82 . . . . 75.12 111.466 -172.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -142.02 115.22 8.84 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.975 -1.011 . . . . 74.45 109.982 174.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.01 -33.68 72.33 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.144 1.377 . . . . 75.45 112.375 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -72.81 -8.46 55.6 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.326 0.65 . . . . 75.22 112.449 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -156.49 77.25 4.31 Favored Pre-proline 0 N--CA 1.477 0.913 0 N-CA-C 107.075 -1.454 . . . . 74.31 107.075 173.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -92.89 151.43 2.7 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 122.93 2.42 . . . . 75.21 112.977 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.735 HG13 ' HB2' ' A' ' 30' ' ' LEU . 15.7 mt -76.33 127.27 85.13 Favored Pre-proline 0 CA--C 1.554 1.117 0 N-CA-C 107.017 -1.475 . . . . 75.13 107.017 164.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -46.01 140.77 10.0 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 124.282 3.321 . . . . 75.35 113.341 -175.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -47.84 -39.26 31.5 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 124.094 3.196 . . . . 75.45 114.834 -165.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.27 -47.57 79.06 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 121.287 0.565 . . . . 72.24 111.093 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.4 -25.35 59.42 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.032 0.933 . . . . 70.44 111.168 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -62.76 -35.41 79.73 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.528 1.131 . . . . 72.15 110.532 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.98 -39.19 63.84 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.129 -0.788 . . . . 53.31 111.129 172.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.67 10.32 11.54 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 124.246 1.018 . . . . 72.44 113.129 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -69.63 102.15 1.8 Allowed 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.253 0.549 . . . . 73.54 109.788 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -91.96 -25.64 18.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.187 0.995 . . . . 75.14 109.571 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.78 158.12 9.63 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 114.996 -1.002 . . . . 73.34 110.604 -176.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.97 148.56 31.14 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.652 -0.499 . . . . 75.53 109.652 176.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.451 ' HD3' ' H ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -68.96 136.1 52.0 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.666 -0.697 . . . . 73.44 109.176 174.374 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -107.9 118.6 37.18 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.367 0.667 . . . . 71.41 110.134 -172.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -83.78 134.1 34.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 107.999 -1.112 . . . . 74.24 107.999 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -74.04 155.04 38.96 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.513 0.325 . . . . 74.24 110.204 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.449 HD13 HG21 ' A' ' 19' ' ' ILE . 23.6 mm -75.45 132.66 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.467 0.707 . . . . 74.51 110.993 -169.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -136.64 110.46 8.16 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 122.97 0.508 . . . . 74.4 111.562 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.75 -5.21 56.82 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.275 1.03 . . . . 64.41 111.996 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 m -75.97 -28.8 58.03 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.027 0.441 . . . . 72.24 110.287 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.523 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 18.0 m-85 -75.77 12.05 1.18 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.041 0.936 . . . . 71.53 113.041 173.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -85.76 98.62 10.83 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 108.724 -0.843 . . . . 74.04 108.724 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.5 m -100.55 137.19 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 107.83 -1.174 . . . . 71.21 107.83 169.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.82 113.58 20.55 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 107.209 -1.404 . . . . 64.51 107.209 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.41 136.08 42.88 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.384 -0.599 . . . . 73.13 109.384 -173.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -73.3 110.32 7.5 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 107.966 -1.124 . . . . 73.41 107.966 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -79.5 119.34 22.36 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 115.074 -0.966 . . . . 71.43 110.284 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -113.47 144.05 30.56 Favored Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 107.196 -1.409 . . . . 72.24 107.196 164.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -94.54 167.06 1.81 Allowed 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 122.752 2.301 . . . . 71.41 112.076 169.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.5 125.57 28.23 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 110.067 -0.346 . . . . 72.41 110.067 167.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -57.3 -38.16 73.57 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.73 0.812 . . . . 75.43 111.348 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -150.51 96.92 3.35 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 107.165 -1.42 . . . . 72.11 107.165 172.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -47.75 130.28 18.71 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 123.603 2.869 . . . . 73.5 113.451 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.65 157.1 45.02 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.645 0.778 . . . . 75.21 111.18 -174.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.71 126.46 32.91 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.13 0.972 . . . . 75.04 110.937 -175.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 21.3 m -113.16 155.21 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.961 0.905 . . . . 74.5 108.858 172.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -101.78 111.32 23.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.276 0.63 . . . . 74.33 109.872 -176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.89 115.99 31.7 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 107.629 -1.249 . . . . 73.12 107.629 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.91 140.71 57.66 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.014 -0.735 . . . . 75.01 109.014 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.1 p -115.29 161.58 18.29 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.48 0.582 . . . . 71.42 110.978 -168.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.1 p -74.09 -25.15 59.65 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.209 -0.905 . . . . 74.11 110.0 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.405 ' HB2' ' HA ' ' A' ' 166' ' ' SER . 20.8 tpt180 -71.54 -31.77 67.4 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.728 1.211 . . . . 73.51 111.994 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.64 -120.9 1.34 Allowed Glycine 0 C--N 1.347 1.149 0 CA-C-O 118.812 -0.993 . . . . 54.21 111.476 -174.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -59.67 145.22 98.71 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 123.341 2.694 . . . . 74.43 112.252 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.86 151.87 38.63 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 123.186 2.591 . . . . 74.13 114.815 -174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.74 127.09 48.67 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.821 -1.081 . . . . 75.01 108.725 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 8.6 pt-20 -73.85 125.83 29.04 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.598 0.561 . . . . 75.24 110.184 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -128.21 133.23 48.83 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 107.406 -1.331 . . . . 73.41 107.406 169.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.489 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 51.6 m -78.84 148.51 32.81 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 108.628 -0.878 . . . . 71.0 108.628 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -85.06 113.99 21.88 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.697 -0.853 . . . . 73.31 108.697 172.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 106' ' ' ARG . . . -86.84 -47.35 9.12 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.543 0.687 . . . . 73.43 110.346 176.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . . . -151.82 168.86 23.75 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 114.776 -1.102 . . . . 73.22 110.217 -171.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.6 t -131.73 113.93 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 124.766 1.226 . . . . 74.41 107.914 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.38 122.76 38.43 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.168 0.587 . . . . 73.31 109.936 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.44 134.69 11.32 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 110.126 -1.189 . . . . 72.2 110.126 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -152.85 -175.72 5.44 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.116 0.958 . . . . 70.34 110.473 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.68 154.97 46.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.898 0.879 . . . . 74.13 109.531 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.73 125.85 3.77 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 106.118 -1.808 . . . . 73.02 106.118 -175.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.73 -125.21 27.91 Favored Glycine 0 C--N 1.353 1.484 0 N-CA-C 110.791 -0.924 . . . . 70.02 110.791 -169.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -109.24 21.12 17.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.3 0.64 . . . . 64.24 110.402 169.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.2 m -117.42 124.11 48.06 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.865 0.466 . . . . 65.1 111.111 -173.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -92.36 117.04 29.51 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.617 -1.253 . . . . 75.11 107.617 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -135.42 149.97 49.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.622 0.725 . . . . 74.24 110.922 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.5 m -129.61 125.14 35.44 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 114.159 -1.382 . . . . 73.33 110.064 -167.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.0 mt -108.72 138.12 45.56 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.538 -0.912 . . . . 75.02 108.538 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.0 m -88.6 130.21 35.32 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.897 -0.409 . . . . 74.32 109.897 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 113' ' ' LEU . . . -96.41 119.41 34.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.604 0.762 . . . . 71.31 109.576 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -95.28 149.88 20.85 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.119 0.568 . . . . 74.1 111.244 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.533 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 60.2 ttt180 -92.18 111.83 23.54 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 107.78 -1.193 . . . . 75.21 107.78 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.61 145.01 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.579 0.752 . . . . 65.33 111.068 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -81.94 136.34 35.31 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.513 -1.221 . . . . 74.2 109.417 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.12 -39.85 2.64 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 123.031 0.348 . . . . 51.11 113.194 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -91.6 121.71 33.51 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.006 0.922 . . . . 75.14 110.578 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.1 t -77.44 -11.84 59.89 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.924 1.289 . . . . 62.44 113.021 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.2 m -91.11 150.57 21.34 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.279 0.632 . . . . 73.13 109.888 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' A' ' 104' ' ' ALA . 66.3 mt -80.99 136.51 36.02 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.023 0.929 . . . . 74.25 109.29 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -96.11 98.22 10.17 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 107.853 -1.166 . . . . 73.33 107.853 -176.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.2 t -106.86 96.22 14.18 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 123.564 0.745 . . . . 71.22 108.995 -175.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.582 ' HB2' ' HB3' ' A' ' 170' ' ' PRO . 85.5 Cg_endo -82.27 146.75 14.17 Favored 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 122.225 1.95 . . . . 74.54 111.139 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.571 ' HA ' HD21 ' A' ' 174' ' ' ASN . 11.6 p90 -161.46 162.28 30.43 Favored 'General case' 0 C--O 1.252 1.188 0 CA-C-O 121.521 0.677 . . . . 72.05 111.107 -178.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 p -133.46 154.8 50.5 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.771 -1.559 . . . . 72.34 108.213 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.483 ' HB3' ' O ' ' A' ' 178' ' ' ALA . 1.8 m-20 -129.97 -169.98 2.23 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.867 0.867 . . . . 55.31 109.438 -174.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.04 -22.11 58.62 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 122.253 0.221 . . . . 73.33 111.502 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -36.95 76.38 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.418 0.687 . . . . 73.43 110.035 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -34.27 72.36 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.101 1.36 . . . . 65.52 112.894 -173.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.17 -34.32 56.39 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.648 1.179 . . . . 64.44 113.127 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.12 -18.37 65.25 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.438 0.695 . . . . 72.24 111.944 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 87.15 -26.3 7.02 Favored Glycine 0 C--N 1.353 1.497 0 N-CA-C 115.523 0.969 . . . . 73.23 115.523 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -65.45 -36.25 83.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.344 0.658 . . . . 73.45 112.492 -170.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.429 ' HB ' ' HD1' ' A' ' 128' ' ' TYR . 40.2 p -120.44 143.71 48.35 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.374 0.67 . . . . 75.24 111.031 -172.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.448 ' OH ' ' HB2' ' A' ' 119' ' ' ASP 0.266 10.3 p90 34.93 55.84 0.74 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 127.483 2.313 . . . . 72.5 113.991 174.543 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -43.41 -47.26 6.91 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.51 -2.132 . . . . 74.11 112.159 173.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -103.45 13.83 32.7 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.741 0.816 . . . . 74.21 111.727 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.15 171.1 26.1 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 111.257 -0.737 . . . . 64.5 111.257 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -135.61 146.12 47.58 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.75 -0.833 . . . . 73.3 108.75 175.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -92.8 172.34 8.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.112 0.565 . . . . 72.55 110.169 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.404 HD21 HG22 ' A' ' 136' ' ' VAL . 1.5 tt -144.19 121.2 11.39 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 105.554 -2.017 . . . . 74.52 105.554 168.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -90.13 98.24 11.65 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 107.551 -1.277 . . . . 75.43 107.551 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.404 HG22 HD21 ' A' ' 134' ' ' LEU . 60.9 t -99.5 128.86 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 115.345 -0.843 . . . . 74.31 109.768 -171.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -87.45 116.13 65.11 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 107.212 -1.403 . . . . 71.4 107.212 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.68 -21.81 58.35 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.383 2.055 . . . . 72.21 112.702 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.42 29.35 16.82 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.313 1.045 . . . . 65.22 113.122 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 53.32 47.32 62.28 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-N 116.112 -0.495 . . . . 72.13 114.066 -168.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -81.87 162.1 22.91 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.844 0.458 . . . . 72.22 110.229 173.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -126.41 173.76 9.12 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.888 0.875 . . . . 62.4 108.647 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.86 118.65 13.76 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-O 119.935 -0.37 . . . . 61.5 112.379 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 107.7 -14.28 38.43 Favored Glycine 0 C--N 1.336 0.55 0 CA-C-O 119.573 -0.57 . . . . 73.11 112.696 -177.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.88 -174.67 3.17 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 117.03 0.415 . . . . 72.01 110.114 175.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -140.49 157.72 45.07 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.926 0.49 . . . . 72.42 110.727 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 25.4 m -130.72 152.03 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.555 1.142 . . . . 72.4 109.013 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.03 106.03 11.75 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 109.648 -0.501 . . . . 73.4 109.648 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.73 86.51 4.41 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.305 -0.628 . . . . 72.41 109.305 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.85 106.41 7.41 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 107.533 -1.284 . . . . 72.25 107.533 164.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.523 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 30.1 m-85 -65.16 -18.89 65.68 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.488 0.315 . . . . 75.42 111.456 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -57.52 -33.96 68.61 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.886 0.874 . . . . 73.43 110.668 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.503 HD12 HG12 ' A' ' 19' ' ' ILE . 4.2 mm? -85.82 18.34 2.98 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.298 1.039 . . . . 74.23 111.986 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.5 130.05 44.59 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 120.833 0.349 . . . . 74.43 110.391 167.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -97.96 146.34 25.58 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.373 1.069 . . . . 73.45 108.603 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -102.64 136.18 19.37 Favored Pre-proline 0 N--CA 1.471 0.596 0 CA-C-O 119.036 -0.507 . . . . 70.22 110.016 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.2 141.87 96.9 Favored 'Trans proline' 0 C--N 1.379 2.167 0 C-N-CA 122.267 1.978 . . . . 74.52 109.745 172.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -63.37 -11.07 19.76 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 113.35 0.87 . . . . 75.24 113.35 -169.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 163' ' ' GLY . 11.4 p -66.89 -12.35 59.02 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.536 0.734 . . . . 71.22 112.685 174.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -86.38 -0.54 56.17 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.903 0.881 . . . . 74.35 112.09 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -110.33 -11.36 14.54 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.705 0.802 . . . . 74.55 110.891 -171.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 124.89 -22.7 6.36 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-N 116.246 -0.434 . . . . 65.5 112.027 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . 0.491 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -80.18 151.76 33.63 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 123.625 0.25 . . . . 63.02 112.553 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 28.8 m -115.02 96.01 5.49 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.877 -0.786 . . . . 74.13 108.877 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.59 -173.67 2.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.16 0.584 . . . . 75.13 110.046 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.405 ' HA ' ' HB2' ' A' ' 79' ' ' ARG . 40.4 t -73.54 107.24 5.7 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.824 0.85 . . . . 63.32 110.465 174.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 33.5 m -100.71 114.45 28.21 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.122 -1.066 . . . . 71.33 108.122 177.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.37 102.11 5.01 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.45 0.7 . . . . 71.42 109.698 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 70.8 mt -65.05 116.69 32.25 Favored Pre-proline 0 CA--C 1.545 0.757 0 O-C-N 124.132 0.895 . . . . 74.24 110.024 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.623 ' HB2' HD22 ' A' ' 174' ' ' ASN . 62.3 Cg_endo -70.85 148.14 57.35 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.337 2.025 . . . . 74.31 112.069 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -64.92 163.22 29.09 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 122.255 1.97 . . . . 74.54 111.916 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -65.83 -16.32 63.71 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.055 0.542 . . . . 70.3 111.799 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.3 -19.42 64.58 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.977 1.311 . . . . 75.43 112.99 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.623 HD22 ' HB2' ' A' ' 170' ' ' PRO . 1.2 p-10 -108.7 37.16 2.6 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.469 0.652 . . . . 70.32 111.822 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -102.51 114.41 28.59 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.401 -0.592 . . . . 70.2 109.401 173.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 33.1 m -91.94 138.58 24.68 Favored Pre-proline 0 CA--C 1.557 1.241 0 N-CA-C 109.999 -0.371 . . . . 74.41 109.999 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -86.55 50.39 2.32 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 123.883 3.055 . . . . 74.11 112.348 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.483 ' O ' ' HB3' ' A' ' 119' ' ' ASP . . . -145.55 146.76 31.54 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.272 -1.01 . . . . 75.3 108.272 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.42 122.87 34.4 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.128 -0.693 . . . . 63.23 109.128 173.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.04 108.22 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.018 -1.104 . . . . 75.31 108.018 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 43.4 p -85.01 81.28 8.96 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.715 0.769 . . . . 73.32 110.774 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.959 0 C-N-CA 124.665 1.186 . . . . 64.04 109.801 -177.057 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.5 tt . . . . . 0 CA--C 1.563 1.479 0 N-CA-C 107.31 -1.367 . . . . 75.32 107.31 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.71 127.44 15.45 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 121.55 1.5 . . . . 73.35 111.095 -166.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mt -171.66 -54.51 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.059 0.944 . . . . 74.3 110.053 -169.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -78.87 18.57 0.99 Allowed 'Trans proline' 0 C--N 1.397 3.118 0 C-N-CA 122.173 1.915 . . . . 71.41 112.662 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m -68.12 -26.08 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.663 1.185 . . . . 75.22 110.044 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 t -85.14 86.64 7.36 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 107.428 -1.323 . . . . 73.15 107.428 162.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.5 t0 -28.59 148.97 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 126.914 2.085 . . . . 72.13 115.485 -178.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -47.67 137.05 9.73 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.106 0.962 . . . . 75.34 110.478 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -39.54 -49.32 2.13 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 115.438 1.644 . . . . 73.53 115.438 -162.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.25 -43.55 90.99 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 121.281 0.562 . . . . 75.21 110.602 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.58 -27.95 62.5 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.366 -0.834 . . . . 72.51 111.437 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.55 ' O ' HG13 ' A' ' 19' ' ' ILE . 37.9 t90 -70.76 -37.09 73.37 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.326 -0.62 . . . . 75.2 109.326 173.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -71.34 -27.15 63.17 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.017 0.527 . . . . 75.01 110.35 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.38 84.64 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.91 0.484 . . . . 74.33 111.248 165.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -66.85 -28.4 68.32 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.148 0.579 . . . . 74.12 111.082 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.601 HG23 HD11 ' A' ' 153' ' ' LEU . 49.3 mt -72.4 -47.69 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.587 0.755 . . . . 71.13 109.906 176.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.41 76.19 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 124.558 1.162 . . . . 74.31 110.085 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.41 80.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.425 0.69 . . . . 71.03 111.221 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -53.27 53.33 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.822 0.849 . . . . 65.53 110.813 179.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -67.55 -38.62 84.42 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.593 0.357 . . . . 74.52 111.157 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.85 89.81 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.664 0.603 . . . . 63.13 110.887 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.7 -56.34 23.08 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.157 0.91 . . . . 65.13 110.63 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -57.21 -40.58 77.76 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.898 0.749 . . . . 75.22 111.374 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.71 -55.14 25.58 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.98 0.912 . . . . 72.31 111.381 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.21 -24.35 61.38 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.972 -0.558 . . . . 75.21 110.963 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.64 ' HE1' ' HB2' ' A' ' 36' ' ' SER . 35.7 t80 -52.83 -65.09 0.62 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.353 1.061 . . . . 74.41 111.87 -173.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.468 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.07 -18.3 65.25 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 111.746 0.276 . . . . 62.4 111.746 -175.337 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.1 -36.57 18.04 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.256 0.622 . . . . 70.14 111.581 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 p -117.54 -59.38 1.94 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.983 0.513 . . . . 74.02 111.529 -173.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -61.29 106.55 0.64 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.839 0.856 . . . . 70.34 109.913 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.32 -11.6 60.31 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.458 1.103 . . . . 73.0 113.133 -164.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -62.08 -13.73 29.38 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 113.958 1.095 . . . . 70.31 113.958 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.64 ' HB2' ' HE1' ' A' ' 29' ' ' PHE . 66.1 m -159.74 81.41 2.45 Favored Pre-proline 0 N--CA 1.475 0.821 0 N-CA-C 107.085 -1.45 . . . . 74.45 107.085 172.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -77.2 148.16 26.91 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.503 2.136 . . . . 74.33 111.954 -176.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.7 tt -73.71 133.99 79.16 Favored Pre-proline 0 CA--C 1.553 1.082 0 N-CA-C 108.205 -1.035 . . . . 71.43 108.205 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -48.42 139.31 22.83 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 123.472 2.782 . . . . 75.54 112.327 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -51.4 -32.61 43.1 Favored 'Trans proline' 0 C--N 1.382 2.305 0 C-N-CA 124.05 3.167 . . . . 74.14 114.332 -170.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.57 -44.42 78.25 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.287 0.565 . . . . 75.14 111.034 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -81.95 -18.73 42.51 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.454 0.702 . . . . 72.13 110.539 -175.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -57.9 -46.9 84.22 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.683 0.793 . . . . 64.55 110.676 170.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.93 -41.97 70.54 Favored Glycine 0 C--N 1.344 1.019 0 N-CA-C 111.461 -0.656 . . . . 72.4 111.461 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.76 2.43 14.39 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.656 0.782 . . . . 73.34 112.817 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.8 99.65 0.49 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 121.36 0.6 . . . . 72.24 110.102 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -92.26 -29.19 16.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.49 1.116 . . . . 74.32 109.3 172.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.46 63.48 0.38 Allowed Glycine 0 C--N 1.343 0.948 0 N-CA-C 110.059 -1.217 . . . . 54.23 110.059 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 81.88 0.18 Allowed 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 122.408 1.099 . . . . 74.24 111.02 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -175.24 152.56 1.43 Allowed 'General case' 0 C--O 1.245 0.843 0 CA-C-N 113.761 -1.563 . . . . 75.44 109.453 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.1 t80 168.2 112.14 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.739 1.616 . . . . 73.24 108.41 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -126.3 129.57 49.13 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.917 -0.772 . . . . 75.42 108.917 160.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -71.31 169.7 14.67 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.384 -0.599 . . . . 75.14 109.384 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.404 HG22 ' CD1' ' A' ' 19' ' ' ILE . 10.6 mm -84.11 123.4 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-O 119.23 -0.414 . . . . 70.23 109.928 -174.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -134.63 118.85 17.64 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 109.552 -0.536 . . . . 74.53 109.552 173.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.16 -15.92 56.0 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.938 0.895 . . . . 64.12 113.256 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.0 t -81.98 -19.39 40.65 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 122.335 -0.228 . . . . 75.32 111.246 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -85.26 7.83 20.72 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.945 0.721 . . . . 72.24 112.945 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.488 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 37.2 ptt180 -104.09 99.59 9.33 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.68 -0.859 . . . . 74.53 108.68 169.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.4 m -100.31 155.09 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 122.048 -0.407 . . . . 65.55 110.12 -175.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.76 118.56 31.58 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.145 -1.058 . . . . 70.33 108.145 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.566 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . . . -105.69 135.1 47.72 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.09 0.556 . . . . 54.31 110.268 -175.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 145' ' ' ASP . 50.7 ttp180 -73.33 120.03 18.39 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.828 -0.805 . . . . 73.44 108.828 -176.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -88.46 121.73 31.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.974 0.909 . . . . 74.14 109.924 -172.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -118.58 105.89 45.24 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.789 0.835 . . . . 75.42 108.984 172.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -64.59 148.4 90.43 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 122.144 1.896 . . . . 72.43 110.871 176.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.23 110.12 2.1 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.036 -0.727 . . . . 74.44 109.036 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -52.6 -32.03 39.38 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.533 1.133 . . . . 71.04 112.012 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -149.48 97.32 3.54 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 106.979 -1.489 . . . . 63.42 106.979 166.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.74 128.49 24.63 Favored 'Trans proline' 0 C--N 1.373 1.817 0 C-N-CA 122.669 2.246 . . . . 72.43 111.934 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -130.26 156.94 43.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.369 1.068 . . . . 63.13 109.356 -177.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.46 141.36 28.6 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.12 0.568 . . . . 73.53 110.772 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 33.4 m -136.15 158.97 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.747 1.219 . . . . 65.15 109.327 -174.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -106.15 112.47 25.52 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.077 -0.712 . . . . 73.34 109.077 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -95.48 123.77 39.18 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 107.355 -1.35 . . . . 61.31 107.355 172.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.27 151.71 39.8 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.518 -0.549 . . . . 75.35 109.518 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.4 p -123.5 168.2 12.9 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 118.583 0.629 . . . . 74.11 110.971 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.3 p -86.94 -33.56 19.63 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.887 -1.051 . . . . 73.34 110.524 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -75.69 -31.79 59.85 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.654 0.782 . . . . 74.41 111.805 -173.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.44 -122.83 1.09 Allowed Glycine 0 CA--C 1.532 1.148 0 CA-C-O 118.659 -1.078 . . . . 72.41 112.683 -174.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -62.74 152.6 77.45 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 123.533 2.822 . . . . 71.32 112.795 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -67.14 145.7 73.91 Favored 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 122.712 2.275 . . . . 74.1 113.071 -176.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.25 117.31 29.53 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.25 1.02 . . . . 71.1 109.633 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 44.6 mt-10 -81.02 120.16 24.43 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.173 0.589 . . . . 73.41 110.858 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.561 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 41.1 m-85 -122.5 146.68 47.17 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.076 0.95 . . . . 75.2 108.869 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.1 m -89.19 137.53 32.23 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 108.903 -0.777 . . . . 61.04 108.903 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -73.01 112.03 8.66 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.856 -0.794 . . . . 75.44 108.856 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.606 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.58 -52.82 6.8 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.409 0.684 . . . . 75.45 110.639 177.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.48 177.12 11.72 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.33 -0.85 . . . . 74.04 110.743 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.3 t -135.43 118.8 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 N-CA-C 107.536 -1.283 . . . . 74.43 107.536 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.428 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 3.0 mm? -95.7 119.92 35.06 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.25 0.62 . . . . 74.42 111.158 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.14 125.86 7.06 Favored Glycine 0 C--N 1.342 0.915 0 N-CA-C 110.632 -0.987 . . . . 72.15 110.632 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.566 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 37.1 p90 -161.23 154.78 21.79 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 117.706 0.753 . . . . 75.22 110.847 -171.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -81.16 152.84 27.55 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.939 -0.393 . . . . 75.11 109.939 173.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.486 HD22 HG11 ' A' ' 176' ' ' VAL . 28.6 tp -169.68 134.39 1.38 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 108.48 -0.933 . . . . 75.45 108.48 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.63 -101.49 1.79 Allowed Glycine 0 C--N 1.35 1.338 0 N-CA-C 110.285 -1.126 . . . . 74.14 110.285 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -129.15 -2.85 5.07 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.357 0.663 . . . . 74.35 110.187 169.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.2 m -129.35 167.59 17.53 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.433 0.635 . . . . 63.15 112.676 -166.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -86.35 139.66 30.77 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.164 -1.05 . . . . 73.41 108.164 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.485 ' HD1' ' HB3' ' A' ' 95' ' ' LEU . 51.1 m80 -141.06 140.71 34.28 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.128 0.971 . . . . 73.15 109.375 -173.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.6 m -135.62 119.28 17.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.448 0.299 . . . . 74.41 110.708 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -103.89 142.85 33.69 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.524 1.13 . . . . 75.11 109.381 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.9 m -88.14 123.31 32.67 Favored 'General case' 0 C--O 1.243 0.717 0 N-CA-C 109.043 -0.725 . . . . 63.35 109.043 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.628 ' HA ' HG13 ' A' ' 115' ' ' VAL . . . -97.3 122.86 40.81 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.303 0.641 . . . . 74.22 109.45 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.561 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 51.0 m-85 -101.59 170.54 8.12 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.696 0.622 . . . . 62.44 110.338 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.606 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 36.7 ttt180 -126.03 131.16 52.24 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.576 -0.898 . . . . 73.01 108.576 -173.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 110' ' ' GLU . 1.8 m -111.8 115.25 49.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 107.748 -1.204 . . . . 73.54 107.748 173.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.24 136.54 56.74 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.033 -0.985 . . . . 74.45 111.213 -170.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 100.36 -34.38 5.59 Favored Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.221 -0.9 . . . . 75.31 111.726 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.44 ' HB2' HG23 ' A' ' 107' ' ' VAL . 10.3 mm-40 -87.79 136.49 32.93 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 123.348 0.659 . . . . 73.32 110.011 176.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.4 m -79.62 -18.1 52.31 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.819 -0.628 . . . . 72.02 110.678 170.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 m -90.57 135.13 33.9 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 123.339 0.655 . . . . 65.21 110.216 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.4 mt -81.68 149.63 28.42 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.808 0.843 . . . . 65.43 110.039 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.3 111.21 22.1 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.592 -0.892 . . . . 71.4 108.592 -177.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.628 HG13 ' HA ' ' A' ' 104' ' ' ALA . 20.0 m -107.68 116.56 57.33 Favored Pre-proline 0 N--CA 1.48 1.059 0 N-CA-C 108.877 -0.786 . . . . 73.05 108.877 175.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -84.22 148.33 11.7 Favored 'Trans proline' 0 C--N 1.368 1.585 0 C-N-CA 122.306 2.004 . . . . 72.31 109.66 163.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -164.7 163.44 21.54 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.142 0.496 . . . . 75.14 110.676 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.4 p -130.57 154.19 48.1 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.966 -1.015 . . . . 73.45 108.877 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -114.0 -172.25 2.05 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 108.08 -1.082 . . . . 72.53 108.08 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -73.33 -28.36 62.03 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.856 -0.794 . . . . 72.43 108.856 160.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.448 HG21 ' HB3' ' A' ' 126' ' ' ARG . 2.2 m -65.9 -38.32 88.4 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.441 1.496 . . . . 72.21 111.332 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 46.9 p -69.51 -45.32 69.16 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.202 0.601 . . . . 71.11 110.972 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.99 -19.42 62.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.7 0.8 . . . . 73.5 111.524 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -76.15 -18.65 59.02 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.851 0.86 . . . . 70.44 110.427 171.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.59 -0.03 86.54 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 115.812 -0.631 . . . . 62.31 113.608 -175.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.448 ' HB3' HG21 ' A' ' 121' ' ' THR . 14.3 tpp180 -72.34 -39.67 67.98 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.792 0.837 . . . . 72.24 109.849 -176.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.8 p -118.44 -177.57 3.32 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.007 -0.997 . . . . 71.14 109.712 171.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -62.61 99.74 0.16 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.402 1.081 . . . . 74.11 111.729 -166.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.74 -52.07 66.42 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.293 1.037 . . . . 72.52 112.365 -173.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -77.42 6.97 5.97 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 116.078 -0.51 . . . . 75.53 112.195 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 134.07 143.36 4.88 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 112.067 -0.413 . . . . 61.04 112.067 167.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 -126.59 140.94 52.05 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.402 -1.333 . . . . 74.15 107.402 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.28 172.51 6.75 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.082 0.467 . . . . 63.55 111.601 -175.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.402 HD12 HD23 ' A' ' 149' ' ' LEU . 1.7 tt -153.17 138.47 17.51 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 106.764 -1.569 . . . . 71.31 106.764 170.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.5 110.95 23.37 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.457 -0.942 . . . . 73.35 108.457 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.7 122.82 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-N 115.154 -0.93 . . . . 72.44 108.872 -171.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -87.6 122.35 70.54 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 108.525 -0.917 . . . . 65.02 108.525 178.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.82 -28.28 86.86 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 122.625 2.217 . . . . 65.12 113.095 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 53.16 30.41 9.74 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 114.444 1.275 . . . . 75.31 114.444 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 58.98 27.8 62.76 Favored Glycine 0 N--CA 1.477 1.412 0 N-CA-C 114.117 0.407 . . . . 64.15 114.117 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.12 161.53 28.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.597 0.759 . . . . 65.22 110.928 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -140.13 179.68 6.49 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.758 -0.656 . . . . 63.1 109.357 -174.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -58.42 104.71 0.52 Allowed Glycine 0 C--N 1.353 1.514 0 C-N-CA 123.602 0.62 . . . . 71.04 113.352 -174.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.2 0.85 33.45 Favored Glycine 0 N--CA 1.467 0.751 0 CA-C-O 119.344 -0.698 . . . . 73.0 114.009 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 63' ' ' ARG . 21.7 m-20 -82.86 -169.16 2.36 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 117.665 0.733 . . . . 64.42 109.597 174.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -138.97 155.35 48.08 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 120.91 0.386 . . . . 74.31 111.577 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 21.9 m -137.17 177.09 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 124.463 1.105 . . . . 73.42 109.653 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.59 130.3 34.61 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.076 0.55 . . . . 71.44 111.684 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.402 HD23 HD12 ' A' ' 134' ' ' LEU . 15.0 mt -126.22 86.25 2.5 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.414 1.086 . . . . 74.31 108.422 166.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 25.4 p-10 -91.73 97.76 11.21 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.114 -0.948 . . . . 74.34 109.674 176.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -73.03 -26.31 61.26 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.098 -0.956 . . . . 64.32 111.634 -172.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -68.48 -17.6 64.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.001 0.521 . . . . 71.02 111.327 174.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.601 HD11 HG23 ' A' ' 19' ' ' ILE . 2.2 mm? -110.56 18.28 19.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.443 0.697 . . . . 73.35 111.722 174.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.1 149.72 27.11 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.525 0.679 . . . . 72.34 111.2 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -97.68 177.03 5.62 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.727 -1.124 . . . . 72.35 108.046 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -152.81 159.0 32.96 Favored Pre-proline 0 N--CA 1.471 0.582 0 O-C-N 121.911 -0.493 . . . . 71.44 110.968 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -80.79 124.46 5.09 Favored 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 121.315 1.343 . . . . 71.15 109.377 163.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.409 ' CD2' HD11 ' A' ' 30' ' ' LEU . 80.3 m-85 -81.62 0.35 38.85 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.349 0.659 . . . . 72.25 111.651 -176.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . 0.458 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 42.1 t -56.23 -30.44 62.36 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.351 -0.841 . . . . 72.04 110.813 159.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.65 -27.23 66.69 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.866 0.867 . . . . 65.12 111.712 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -81.19 11.17 4.44 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.716 0.807 . . . . 73.14 111.68 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 104.24 6.72 41.68 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-O 119.395 -0.669 . . . . 72.22 114.423 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -81.0 159.25 41.46 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 117.612 0.706 . . . . 70.14 112.206 174.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 32.1 p -105.66 69.89 0.85 Allowed 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.276 0.56 . . . . 74.42 110.791 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -129.45 158.31 39.54 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.593 0.757 . . . . 75.02 111.289 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 42.9 p -74.7 115.55 14.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.237 -0.892 . . . . 71.21 112.098 -169.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 159' ' ' CYS . 33.8 m -100.63 113.81 26.98 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 107.616 -1.253 . . . . 52.42 107.616 174.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -72.68 100.25 2.77 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.944 -0.762 . . . . 63.41 108.944 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.59 121.31 47.85 Favored Pre-proline 0 CA--C 1.547 0.839 0 O-C-N 124.687 1.242 . . . . 75.31 110.274 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.09 138.31 43.35 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 122.312 2.008 . . . . 72.32 111.747 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.66 179.73 5.68 Favored 'Trans proline' 0 C--N 1.37 1.699 0 C-N-CA 122.566 2.177 . . . . 61.34 112.648 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -56.65 -27.93 59.56 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.236 1.014 . . . . 74.24 113.324 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -71.35 -26.22 62.72 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.776 0.322 . . . . 74.41 111.192 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -98.98 1.01 45.11 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.409 0.683 . . . . 74.54 110.54 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -85.84 116.75 24.28 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 108.824 -0.806 . . . . 62.41 108.824 170.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.486 HG11 HD22 ' A' ' 95' ' ' LEU . 89.4 t -94.69 115.68 65.57 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 124.515 1.126 . . . . 73.44 108.916 173.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -73.57 66.27 4.66 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.785 2.323 . . . . 72.5 111.472 166.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.13 139.56 19.53 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 124.793 1.237 . . . . 70.11 107.883 174.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.15 103.93 12.11 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.139 -0.689 . . . . 62.13 109.139 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.9 mp -93.81 98.23 7.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 106.34 -1.726 . . . . 74.52 106.34 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 36.6 p -84.77 59.77 5.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 122.569 1.176 . . . . 73.34 109.271 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 CA-C-N 113.284 -1.78 . . . . 61.42 106.527 -177.555 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.501 HG23 ' HG ' ' A' ' 6' ' ' LEU . 13.4 mt . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.901 -0.407 . . . . 72.1 109.901 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -65.76 128.24 19.52 Favored 'Trans proline' 0 C--N 1.371 1.713 0 C-N-CA 122.784 2.323 . . . . 72.44 110.787 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.501 ' HG ' HG23 ' A' ' 4' ' ' ILE . 24.9 mt -159.52 -53.72 0.01 OUTLIER Pre-proline 0 N--CA 1.483 1.192 0 C-N-CA 125.054 1.342 . . . . 75.13 109.935 -166.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -80.08 19.57 1.02 Allowed 'Trans proline' 0 C--N 1.396 3.055 0 C-N-CA 122.221 1.948 . . . . 71.34 112.459 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.33 -28.52 39.68 Favored 'Isoleucine or valine' 0 C--N 1.363 1.159 0 C-N-CA 123.981 0.912 . . . . 74.21 109.455 169.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -91.09 98.57 11.84 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 124.892 1.277 . . . . 61.13 109.067 168.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.55 156.87 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.582 1.153 . . . . 75.53 113.781 167.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.0 t -50.59 141.46 12.5 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 114.768 -1.105 . . . . 72.24 110.286 172.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -47.28 -36.63 9.42 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 114.493 1.294 . . . . 73.02 114.493 -165.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.89 -53.9 49.48 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.668 0.787 . . . . 64.04 111.395 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.39 -34.12 72.18 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.252 1.021 . . . . 72.21 111.138 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.43 ' O ' HG13 ' A' ' 19' ' ' ILE . 60.2 t90 -65.99 -45.25 82.31 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.78 1.232 . . . . 72.24 109.455 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.535 ' HA ' HD11 ' A' ' 19' ' ' ILE . 23.5 ttm180 -63.76 -39.83 95.23 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.404 1.081 . . . . 72.51 110.565 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.69 88.47 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.511 0.724 . . . . 72.12 111.431 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -63.18 -45.57 91.2 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 122.796 0.439 . . . . 74.33 110.22 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.535 HD11 ' HA ' ' A' ' 16' ' ' ARG . 82.9 mt -57.03 -47.26 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 O-C-N 123.88 0.737 . . . . 71.12 110.594 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.45 -44.26 84.6 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 124.575 1.172 . . . . 75.11 110.555 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.6 76.13 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.55 -0.75 . . . . 73.15 111.499 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -67.19 -46.61 73.42 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.03 0.932 . . . . 73.13 111.039 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 28.3 ptt180 -74.14 -32.26 63.07 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.029 -0.532 . . . . 74.15 110.698 -177.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.85 -40.88 79.11 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.932 0.493 . . . . 55.54 110.804 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.6 -55.85 29.78 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.912 -1.04 . . . . 71.45 110.372 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.618 ' HE2' ' HB3' ' A' ' 155' ' ' TYR . 47.6 mttp -68.34 -23.7 64.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.728 -0.669 . . . . 74.02 111.742 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.479 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -63.52 -54.76 31.24 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.405 0.621 . . . . 73.2 109.484 173.497 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -83.35 -13.25 55.43 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.22 -0.9 . . . . 64.44 111.412 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -55.34 -60.05 3.95 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.727 0.811 . . . . 75.2 111.668 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.693 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -75.0 -24.81 58.48 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.612 -0.267 . . . . 74.41 110.982 -178.496 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.74 -44.77 55.31 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.752 0.421 . . . . 64.04 111.562 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.4 p -119.06 -56.87 2.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.334 0.653 . . . . 72.23 111.455 -170.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -56.29 133.59 52.77 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.253 0.621 . . . . 64.31 112.462 -175.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.25 -15.61 61.92 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.595 1.158 . . . . 70.55 113.118 -168.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -61.54 -37.05 82.36 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.05 0.54 . . . . 73.52 112.278 -172.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -155.65 78.35 4.52 Favored Pre-proline 0 N--CA 1.48 1.064 0 C-N-CA 123.667 0.787 . . . . 63.53 109.057 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.63 128.21 14.92 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 122.376 2.051 . . . . 75.41 111.618 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.693 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 18.5 tt -69.82 136.01 87.72 Favored Pre-proline 0 CA--C 1.552 1.044 0 N-CA-C 108.384 -0.969 . . . . 70.45 108.384 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -35.62 134.44 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 124.405 3.403 . . . . 74.34 115.174 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -54.69 -25.1 40.4 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 124.14 3.227 . . . . 74.31 114.546 -171.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.38 76.91 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.05 0.54 . . . . 73.34 110.839 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -76.32 -37.44 57.38 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.726 0.81 . . . . 74.54 110.147 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -67.33 -35.14 78.79 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.981 0.912 . . . . 71.33 111.395 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.95 -44.13 47.27 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.727 -0.549 . . . . 61.2 111.727 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.82 21.2 3.15 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.973 0.909 . . . . 74.31 112.435 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.98 108.63 2.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.823 0.849 . . . . 70.41 111.687 -175.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -94.84 -38.51 10.71 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.991 0.916 . . . . 73.53 109.799 170.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.92 168.97 11.85 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.103 -0.953 . . . . 73.23 111.602 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' A' ' 27' ' ' ASP . 1.2 pt? -135.99 80.5 1.83 Allowed 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 122.202 1.001 . . . . 73.05 109.406 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.51 123.8 2.22 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.933 -1.031 . . . . 73.41 109.27 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -131.24 -158.08 0.87 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.25 1.02 . . . . 64.31 108.545 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -55.53 111.98 1.02 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 109.123 -0.695 . . . . 75.54 109.123 176.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 152' ' ' ASN . 21.8 p-10 -122.56 -51.78 1.94 Allowed 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.056 -1.028 . . . . 73.54 110.564 -171.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.43 HG12 HD13 ' A' ' 19' ' ' ILE . 3.9 mt -80.76 105.81 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 121.467 0.651 . . . . 75.22 110.776 -175.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -136.28 114.19 11.27 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.202 -1.363 . . . . 70.22 109.544 166.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.95 -10.55 58.98 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.448 0.907 . . . . 71.23 113.448 -171.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 m -75.03 -27.92 60.26 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 110.017 -0.364 . . . . 63.13 110.017 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.49 ' HB2' ' HB3' ' A' ' 152' ' ' ASN . 67.0 m-85 -90.61 13.17 16.68 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 113.091 0.774 . . . . 75.34 113.091 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -112.43 115.86 29.36 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.521 -0.918 . . . . 74.13 108.521 173.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.9 m -115.49 171.07 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.372 0.669 . . . . 75.43 110.369 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.27 125.66 53.35 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.093 -1.077 . . . . 71.13 108.093 170.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -110.5 146.32 36.18 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.731 0.813 . . . . 72.35 110.248 -175.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -80.11 120.42 24.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.199 -0.667 . . . . 73.4 109.199 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -82.11 122.26 27.63 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.899 0.88 . . . . 74.3 109.811 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -124.07 100.44 36.46 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 124.288 1.035 . . . . 75.3 108.46 173.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -69.66 148.0 64.73 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.172 1.915 . . . . 74.5 111.278 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.9 99.82 3.92 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.901 -1.148 . . . . 73.22 107.901 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -60.61 -23.35 64.65 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.108 0.963 . . . . 75.35 109.627 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -123.65 90.85 50.27 Favored Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 108.533 -0.914 . . . . 75.41 108.533 167.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.45 131.86 19.63 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 122.058 1.838 . . . . 72.23 111.443 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -133.61 147.2 51.47 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.03 0.532 . . . . 74.44 111.112 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.17 126.52 31.59 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.151 0.98 . . . . 71.04 110.077 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.6 m -122.22 154.37 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.814 1.246 . . . . 75.41 108.963 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.425 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 37.5 mt-10 -111.4 112.67 24.58 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.192 0.997 . . . . 74.43 108.933 -178.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 168' ' ' ALA . 1.3 mm? -99.36 141.02 32.67 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.522 -0.918 . . . . 74.2 108.522 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.81 149.89 48.53 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.079 0.552 . . . . 74.1 110.626 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.0 p -138.7 162.44 34.68 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.558 0.343 . . . . 73.33 110.304 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.2 p -95.62 -34.42 12.0 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.424 0.69 . . . . 75.43 110.912 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.74 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 4.1 tmt_? -75.24 -31.45 60.82 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.767 0.427 . . . . 74.53 111.922 -175.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.93 -138.89 2.7 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 120.338 -0.934 . . . . 71.13 114.379 -175.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -62.93 158.07 45.12 Favored 'Trans proline' 0 C--N 1.381 2.248 0 C-N-CA 123.559 2.839 . . . . 73.4 112.952 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.418 ' HB2' ' HB3' ' A' ' 74' ' ' GLU . 23.3 Cg_endo -59.08 137.88 82.06 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.381 2.054 . . . . 74.51 111.634 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 124.75 36.5 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 123.886 0.874 . . . . 75.11 109.695 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.425 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 40.2 mt-10 -84.53 123.84 30.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.929 0.891 . . . . 53.44 110.246 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -139.5 147.61 41.52 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.272 1.029 . . . . 74.55 108.43 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.7 m -99.03 140.42 33.2 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.63 -0.508 . . . . 72.05 109.63 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.9 mtm105 -75.18 108.73 8.13 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.467 -0.938 . . . . 73.32 108.467 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 106' ' ' ARG . . . -88.88 -41.27 12.55 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.527 0.731 . . . . 75.24 110.345 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' A' ' 104' ' ' ALA . . . -157.59 174.78 14.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.61 -0.723 . . . . 74.24 110.809 -176.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.4 t -138.83 125.09 24.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 C-N-CA 125.485 1.514 . . . . 73.01 107.483 171.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -96.04 123.56 39.69 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.513 1.125 . . . . 73.34 109.948 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -107.73 117.07 5.07 Favored Glycine 0 C--N 1.341 0.806 0 N-CA-C 109.994 -1.242 . . . . 72.31 109.994 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.53 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 38.5 p90 -147.05 149.56 33.33 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.205 0.602 . . . . 75.24 110.517 -171.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.438 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 3.4 m-20 -81.93 138.03 35.06 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.211 0.604 . . . . 55.44 109.696 173.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.519 HD22 HD11 ' A' ' 180' ' ' ILE . 29.2 tp -158.11 124.7 4.82 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 108.708 -0.849 . . . . 74.44 108.708 178.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.9 -102.2 1.2 Allowed Glycine 0 C--N 1.351 1.412 0 N-CA-C 111.064 -0.814 . . . . 71.24 111.064 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -113.56 -14.31 12.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.335 1.054 . . . . 74.43 111.246 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.511 ' HB2' ' HG3' ' A' ' 177' ' ' PRO . 44.2 m -129.55 135.36 48.49 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.358 0.599 . . . . 73.32 112.439 -162.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 9.0 p80 -83.79 111.69 19.42 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 107.54 -1.281 . . . . 72.41 107.54 167.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -125.9 162.43 25.2 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 124.682 1.193 . . . . 71.32 108.323 -167.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.4 p -105.59 160.02 15.5 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.907 0.483 . . . . 71.32 110.698 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.53 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 14.5 tp -147.04 119.18 8.25 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.96 -0.564 . . . . 73.33 109.561 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.474 ' H ' ' ND2' ' A' ' 174' ' ' ASN . 8.6 m -81.62 123.84 29.03 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 110.026 -0.361 . . . . 73.1 110.026 -172.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.446 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . . . -94.39 118.44 31.63 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.199 -1.037 . . . . 65.34 108.199 176.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -92.36 158.81 15.88 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.612 0.72 . . . . 74.33 111.774 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.44 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 31.3 ttt-85 -97.64 120.45 38.04 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.408 -1.269 . . . . 74.44 109.379 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.446 HG22 ' HB2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -114.75 114.62 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.233 1.013 . . . . 73.31 109.475 171.266 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.98 142.79 50.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.263 -0.881 . . . . 74.42 110.904 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.78 -37.66 3.34 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 115.643 -0.708 . . . . 62.05 111.682 -169.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.446 ' HB2' HG22 ' A' ' 107' ' ' VAL . 1.3 mp0 -87.73 126.3 34.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.342 1.057 . . . . 73.43 109.655 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.6 t -75.01 -13.57 60.52 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.202 0.601 . . . . 74.33 110.873 171.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.4 m -88.98 144.47 26.15 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.456 0.702 . . . . 71.23 110.028 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 74.8 mt -82.85 136.38 34.64 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.635 -0.876 . . . . 63.5 108.635 170.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.26 99.98 11.64 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.42 -1.326 . . . . 72.1 107.42 -176.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.8 t -111.17 103.62 55.14 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 123.462 0.705 . . . . 72.45 109.875 -169.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.512 ' HB2' ' HG3' ' A' ' 170' ' ' PRO . 60.7 Cg_endo -84.2 144.8 10.7 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.869 2.379 . . . . 70.13 112.344 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.503 ' HB3' HD11 ' A' ' 102' ' ' LEU . 47.8 p90 -149.84 153.9 37.52 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.633 0.73 . . . . 72.51 112.481 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 p -127.16 148.2 50.18 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 113.607 -1.633 . . . . 74.32 108.459 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.475 ' HB3' HD12 ' A' ' 180' ' ' ILE . 1.0 OUTLIER -123.7 -172.74 2.59 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.583 1.153 . . . . 72.11 110.568 -174.061 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.16 -27.06 42.68 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.02 0.528 . . . . 75.4 111.449 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.467 HG23 ' HB ' ' A' ' 181' ' ' THR . 0.0 OUTLIER -71.88 -13.25 61.61 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.197 0.599 . . . . 71.44 111.751 -178.082 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.471 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 62.8 p -60.3 -40.01 88.98 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.572 0.749 . . . . 75.14 111.403 171.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.8 -29.48 70.75 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.434 1.094 . . . . 73.13 111.773 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -76.37 -24.22 54.15 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.601 0.76 . . . . 63.31 110.258 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.55 -5.11 39.13 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-N 115.749 -0.66 . . . . 72.54 114.1 -176.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -77.55 -15.64 59.13 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.17 0.588 . . . . 73.54 111.122 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.454 HG21 ' H ' ' A' ' 128' ' ' TYR . 1.2 m -125.39 -176.8 3.69 Favored 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 107.664 -1.236 . . . . 65.43 107.664 173.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.454 ' H ' HG21 ' A' ' 127' ' ' THR . 14.9 m-85 -74.04 89.56 1.95 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.944 0.898 . . . . 73.13 112.582 -160.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.471 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 12.6 pt-20 -70.73 -22.16 62.46 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.733 0.413 . . . . 73.35 111.499 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -77.15 -18.81 57.58 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.142 0.577 . . . . 74.31 110.262 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 109.58 176.37 21.21 Favored Glycine 0 C--N 1.345 1.042 0 CA-C-N 115.528 -0.76 . . . . 72.32 112.683 173.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 0.6 OUTLIER -124.61 163.07 22.75 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.665 1.186 . . . . 74.14 109.667 177.504 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.443 ' OH ' ' HB3' ' A' ' 168' ' ' ALA . 6.0 m-85 -118.92 166.51 12.75 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.631 -1.168 . . . . 75.42 108.757 164.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.53 134.51 22.59 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 107.853 -1.165 . . . . 70.22 107.853 174.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -96.78 100.79 12.32 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 108.09 -1.078 . . . . 75.32 108.09 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.01 119.9 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 115.624 -0.716 . . . . 75.54 109.083 -174.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -97.49 119.99 61.67 Favored Pre-proline 0 N--CA 1.472 0.647 0 N-CA-C 108.062 -1.088 . . . . 71.41 108.062 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -67.89 -24.93 39.39 Favored 'Trans proline' 0 C--N 1.37 1.658 0 C-N-CA 122.674 2.249 . . . . 74.43 113.008 -177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.53 -80.53 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.647 1.179 . . . . 74.11 110.439 -167.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -155.55 44.57 0.54 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.65 -0.98 . . . . 70.22 110.65 171.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -79.75 142.2 35.62 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.25 0.62 . . . . 51.53 109.756 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -131.54 -179.89 5.64 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 108.008 -1.108 . . . . 72.22 108.008 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -47.35 99.46 0.02 OUTLIER Glycine 0 C--N 1.355 1.611 0 C-N-CA 124.267 0.937 . . . . 72.13 114.613 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.69 -1.16 27.54 Favored Glycine 0 N--CA 1.47 0.928 0 CA-C-O 119.292 -0.727 . . . . 71.31 114.848 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -81.63 -172.28 3.77 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 118.015 0.907 . . . . 74.02 108.906 173.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.38 155.45 48.51 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.301 0.572 . . . . 63.05 112.378 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 13.4 m -141.19 152.77 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.317 1.447 . . . . 75.45 108.726 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.37 116.5 15.11 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.936 0.495 . . . . 73.53 111.83 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.7 mt -99.76 93.81 6.01 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.646 0.778 . . . . 73.05 109.964 170.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.421 ' HB3' HD21 ' A' ' 153' ' ' LEU . 30.9 m-20 -93.08 96.35 10.0 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.749 -0.659 . . . . 73.41 109.39 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.449 ' HB3' HG21 ' A' ' 180' ' ' ILE . 12.8 m-85 -72.61 -32.59 66.06 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.229 0.538 . . . . 74.11 111.321 -174.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' A' ' 58' ' ' PHE . 6.2 p-10 -74.54 -13.1 60.63 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.256 -0.884 . . . . 74.41 111.699 -175.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 150' ' ' ASP . 1.3 mm? -109.25 20.52 18.21 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.586 0.754 . . . . 75.12 110.697 172.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.15 140.52 52.69 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.821 0.701 . . . . 72.4 110.975 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.618 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 98.3 m-85 -97.7 157.4 16.07 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 115.018 -0.992 . . . . 74.43 110.369 -168.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . 0.41 ' OD1' ' HD3' ' A' ' 26' ' ' LYS . 6.6 p30 -100.56 123.43 46.1 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 114.788 -1.096 . . . . 71.43 113.381 -162.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.89 126.08 11.61 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 121.817 1.678 . . . . 74.13 109.882 160.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -85.39 -9.7 57.23 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.827 0.851 . . . . 74.31 112.592 -168.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . 0.74 ' SG ' ' HB2' ' A' ' 79' ' ' ARG . 34.7 t -55.31 -46.06 76.3 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.353 1.061 . . . . 70.44 111.785 178.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.81 -13.16 62.14 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.384 -0.825 . . . . 75.01 111.823 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -92.4 10.83 28.31 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.343 1.057 . . . . 75.43 110.054 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 124.87 -82.5 0.35 Allowed Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.824 -0.625 . . . . 72.02 112.026 170.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -135.58 99.29 0.31 Allowed Glycine 0 C--N 1.343 0.925 0 O-C-N 123.751 0.324 . . . . 43.14 112.562 -169.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 65.1 m -157.28 -159.62 0.87 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.599 1.159 . . . . 73.52 108.674 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 159' ' ' CYS . 97.1 m-85 -69.98 157.63 37.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.206 0.603 . . . . 73.43 109.723 170.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 77.7 p -67.15 151.18 48.04 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.992 0.917 . . . . 73.13 112.301 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . 0.526 ' HB3' ' HB3' ' A' ' 159' ' ' CYS . 25.4 p -104.33 116.34 31.98 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.428 -0.953 . . . . 74.32 108.428 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.443 ' HB3' ' OH ' ' A' ' 133' ' ' TYR . . . -70.83 100.5 1.93 Allowed 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.32 -0.622 . . . . 74.34 109.32 177.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 87.4 mt -57.58 115.4 10.76 Favored Pre-proline 0 C--O 1.246 0.899 0 C-N-CA 124.495 1.118 . . . . 75.15 109.463 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.512 ' HG3' ' HB2' ' A' ' 116' ' ' PRO . 34.7 Cg_exo -60.92 131.39 36.96 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.633 2.222 . . . . 73.31 111.856 -174.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -53.57 167.51 0.93 Allowed 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 123.517 2.811 . . . . 74.22 113.659 176.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -60.46 -28.4 68.28 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.65 -0.705 . . . . 72.24 111.32 173.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.09 -14.82 59.75 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.752 0.821 . . . . 74.31 111.429 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.474 ' ND2' ' H ' ' A' ' 103' ' ' THR . 10.9 m120 -107.01 13.97 26.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.849 0.86 . . . . 71.31 110.762 173.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -95.59 105.93 17.97 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.285 -1.006 . . . . 73.35 108.285 170.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 31.1 m -77.52 150.87 79.95 Favored Pre-proline 0 CA--C 1.556 1.182 0 C-N-CA 123.262 0.625 . . . . 72.22 109.89 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 98' ' ' SER . 28.2 Cg_endo -86.48 22.77 0.89 Allowed 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 123.108 2.539 . . . . 75.52 113.444 -174.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -133.89 157.15 46.71 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.315 0.646 . . . . 74.23 109.859 -177.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.433 ' HB3' HG21 ' A' ' 121' ' ' THR . . . -88.38 123.03 32.54 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.013 0.925 . . . . 63.5 109.931 178.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . 0.519 HD11 HD22 ' A' ' 95' ' ' LEU . 2.5 mp -109.93 92.59 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 107.057 -1.46 . . . . 74.41 107.057 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' THR . . . . . 0.467 ' HB ' HG23 ' A' ' 121' ' ' THR . 2.7 t -103.54 89.08 3.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.374 -0.83 . . . . 74.32 109.752 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 108.192 -1.04 . . . . 73.14 108.192 174.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mt . . . . . 0 CA--C 1.543 0.681 0 N-CA-C 108.85 -0.796 . . . . 73.01 108.85 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -75.85 124.23 7.94 Favored 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 122.469 2.112 . . . . 73.55 109.819 176.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 173.87 -59.89 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.383 0 C-N-CA 125.021 1.328 . . . . 72.41 107.952 -174.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -79.92 37.17 0.65 Allowed 'Trans proline' 0 C--N 1.402 3.352 0 C-N-CA 122.276 1.984 . . . . 74.35 113.873 -177.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 m -76.87 -14.64 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-O 121.434 0.635 . . . . 71.34 109.796 162.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 t -101.28 109.7 21.59 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 106.263 -1.754 . . . . 74.11 106.263 161.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.62 178.45 1.65 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.256 0.836 . . . . 75.41 113.256 -172.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.7 t -51.16 145.09 8.27 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 114.608 -1.178 . . . . 75.35 109.202 162.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -49.61 -26.21 3.43 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.533 1.308 . . . . 73.13 114.533 -167.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.27 -61.27 2.22 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.984 0.913 . . . . 73.21 110.406 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 18' ' ' ARG . . . -74.87 -21.62 59.13 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.163 0.985 . . . . 74.42 111.52 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.441 ' O ' HG13 ' A' ' 19' ' ' ILE . 24.8 t90 -70.8 -57.12 4.96 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.841 0.857 . . . . 74.21 109.848 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -65.86 -31.79 72.93 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.628 0.371 . . . . 74.22 111.207 178.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.0 -49.19 77.69 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.993 0.517 . . . . 75.34 110.657 169.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 5.9 ttt180 -58.03 -46.99 84.43 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 124.611 1.164 . . . . 75.53 110.25 -178.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 15' ' ' TRP . 54.2 mt -66.78 -52.33 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 115.24 -0.891 . . . . 74.14 111.271 -176.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.92 99.56 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.672 0.608 . . . . 65.24 110.842 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.51 -40.69 63.85 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.124 0.57 . . . . 64.21 112.181 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -78.77 -29.11 44.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.405 0.282 . . . . 75.45 110.513 -177.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.0 tpt85 -76.92 -28.59 55.33 Favored 'General case' 0 C--O 1.21 -0.998 0 N-CA-C 108.923 -0.769 . . . . 74.22 108.923 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.72 80.59 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.901 0.48 . . . . 43.41 110.384 171.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.72 -45.67 93.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.681 0.793 . . . . 61.22 109.731 170.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -76.38 -13.88 60.11 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.217 -0.901 . . . . 73.23 112.612 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -77.93 -42.59 32.57 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.684 0.794 . . . . 74.31 110.425 168.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -82.84 -13.4 56.24 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 122.17 -0.331 . . . . 73.3 110.153 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -53.73 -45.24 70.44 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.996 0.918 . . . . 70.11 112.605 174.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.471 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -82.51 -14.38 55.06 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.356 0.502 . . . . 71.13 112.356 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.51 -50.93 4.76 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.272 0.629 . . . . 72.2 112.054 -174.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.9 p -107.96 -58.19 2.01 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.897 0.879 . . . . 74.34 110.581 -172.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -52.44 120.98 6.19 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.23 1.012 . . . . 65.12 111.335 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.38 -11.91 61.21 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.754 1.222 . . . . 75.22 113.062 -168.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -64.6 -24.73 67.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.685 0.794 . . . . 71.23 111.794 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 47.5 t -152.93 87.04 4.07 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 108.442 -0.947 . . . . 70.31 108.442 -174.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -87.28 129.85 2.82 Favored 'Trans proline' 0 C--N 1.367 1.505 0 C-N-CA 122.201 1.934 . . . . 74.31 114.231 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.416 HG13 ' HB2' ' A' ' 30' ' ' LEU . 15.7 mt -81.93 131.62 56.49 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 108.026 -1.102 . . . . 75.11 108.026 164.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.665 ' HD3' ' HA2' ' A' ' 162' ' ' GLY . 87.0 Cg_exo -49.03 130.68 24.31 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 123.634 2.89 . . . . 74.01 112.767 172.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -47.7 -37.9 28.39 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 124.835 3.69 . . . . 73.05 115.683 -169.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.05 83.51 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.335 0.254 . . . . 62.52 110.756 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.22 -33.35 65.29 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.871 0.868 . . . . 75.14 110.6 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -63.45 -22.24 66.77 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.617 0.767 . . . . 75.14 111.461 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.93 -35.06 89.85 Favored Glycine 0 C--N 1.348 1.241 0 CA-C-N 116.416 -0.357 . . . . 75.32 113.013 171.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.81 13.82 15.28 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.756 0.822 . . . . 72.43 112.11 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -88.56 119.4 28.98 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.655 -0.498 . . . . 74.52 109.655 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -108.22 -47.96 3.44 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 108.04 -1.096 . . . . 73.44 108.04 166.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.47 146.52 4.82 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 114.624 -1.171 . . . . 63.43 110.344 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.17 106.69 6.81 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.556 -0.905 . . . . 74.12 108.556 176.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 172.03 10.65 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.527 -0.916 . . . . 74.24 108.527 170.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -166.6 164.66 16.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.167 0.587 . . . . 75.15 110.332 -170.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -59.9 155.73 15.88 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.024 0.828 . . . . 65.32 109.421 171.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -74.8 150.82 39.18 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 108.128 -1.064 . . . . 73.11 108.128 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -69.14 122.25 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 109.405 -0.591 . . . . 72.43 109.405 -167.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -112.26 128.32 56.23 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 122.976 0.51 . . . . 74.34 109.9 -172.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.09 -9.29 59.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.519 1.128 . . . . 73.03 112.096 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.1 m -70.28 -31.59 69.02 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.853 0.461 . . . . 74.43 110.619 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.498 ' HB2' ' HB1' ' A' ' 182' ' ' ALA . 61.1 m-85 -104.17 12.65 33.59 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.444 0.698 . . . . 74.31 110.316 -178.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -93.35 83.26 4.55 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 107.194 -1.41 . . . . 75.44 107.194 165.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 m -104.07 170.19 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-O 120.925 0.393 . . . . 75.31 110.418 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.77 145.2 43.01 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.753 -0.832 . . . . 75.45 108.753 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . . . -127.63 141.18 51.69 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.27 0.628 . . . . 71.42 110.448 -178.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.4 ttm105 -73.66 116.32 14.11 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.01 -0.737 . . . . 74.3 109.01 -176.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -77.86 106.88 9.99 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.389 -0.823 . . . . 72.45 109.037 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -106.58 97.6 17.43 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 107.688 -1.227 . . . . 73.55 107.688 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -63.48 144.22 89.94 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 122.526 2.151 . . . . 72.13 110.482 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.0 98.53 0.43 Allowed 'General case' 0 C--N 1.345 0.405 0 CA-C-O 121.349 0.595 . . . . 74.42 110.232 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -61.87 -35.16 77.49 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.337 -1.301 . . . . 75.55 109.8 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -126.32 96.26 36.82 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 124.752 1.221 . . . . 71.31 108.921 168.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.02 121.11 5.24 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 122.508 2.139 . . . . 73.02 112.779 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -120.0 140.85 50.32 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.27 0.628 . . . . 75.51 111.546 -177.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.14 110.16 15.29 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.109 0.964 . . . . 65.14 110.129 174.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 m -106.52 160.04 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.24 1.016 . . . . 73.24 109.946 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -109.65 120.05 41.29 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.938 0.895 . . . . 73.13 108.646 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.611 ' HB2' ' HB2' ' A' ' 168' ' ' ALA . 0.7 OUTLIER -113.82 127.21 55.91 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 107.476 -1.305 . . . . 75.44 107.476 175.058 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.09 153.26 41.33 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 117.984 0.356 . . . . 74.24 110.322 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.7 p -128.5 167.17 17.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.576 0.35 . . . . 74.34 110.658 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.1 p -92.73 -26.66 17.66 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.152 0.981 . . . . 74.12 111.737 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.7 -30.07 59.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.214 0.606 . . . . 74.01 112.254 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.64 -123.11 1.05 Allowed Glycine 0 C--N 1.348 1.215 0 CA-C-O 118.888 -0.951 . . . . 70.33 112.968 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -68.88 153.64 72.38 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 123.305 2.67 . . . . 54.14 112.791 -172.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.06 140.77 91.54 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.68 2.254 . . . . 73.04 112.626 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.04 125.97 40.95 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 124.188 0.995 . . . . 74.42 109.395 -176.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -83.27 133.46 34.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.255 0.622 . . . . 74.22 110.048 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -141.07 136.37 31.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.372 0.669 . . . . 64.32 109.754 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -94.37 132.19 39.24 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.413 -0.958 . . . . 75.21 108.413 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.529 ' HD2' HG22 ' A' ' 103' ' ' THR . 10.3 mtm180 -72.87 113.31 9.76 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.09 -0.707 . . . . 75.32 109.09 -175.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 106' ' ' ARG . . . -84.05 -42.79 15.78 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.08 0.952 . . . . 73.12 111.191 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.99 174.61 15.09 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.165 -0.925 . . . . 74.14 109.895 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.5 HG12 HG22 ' A' ' 101' ' ' THR . 0.1 OUTLIER -139.24 119.89 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.025 0 N-CA-C 107.706 -1.22 . . . . 73.04 107.706 174.37 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.419 HD22 ' HB2' ' A' ' 104' ' ' ALA . 1.5 mm? -96.96 117.95 32.28 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.147 0.979 . . . . 72.35 110.798 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.58 121.26 6.19 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-O 119.648 -0.529 . . . . 72.53 112.136 -176.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.422 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 33.9 p90 -155.1 -176.21 5.82 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 117.587 0.693 . . . . 73.53 110.206 -173.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -135.07 160.06 39.53 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 123.133 0.573 . . . . 73.41 110.359 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.6 tp -159.02 135.11 8.96 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 107.247 -1.39 . . . . 72.14 107.247 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.11 -108.56 2.45 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-N 117.988 0.358 . . . . 64.43 112.954 -174.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -123.89 10.1 8.86 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.221 1.009 . . . . 70.42 109.39 175.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m -117.9 121.46 40.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.639 0.375 . . . . 72.11 110.952 -171.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -98.22 129.91 44.96 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.442 -0.947 . . . . 73.24 108.442 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -143.79 165.55 27.36 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.48 0.657 . . . . 75.13 110.582 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.5 HG22 HG12 ' A' ' 90' ' ' VAL . 3.2 m -124.89 119.34 28.53 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 107.091 -1.448 . . . . 73.33 107.091 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mp -104.67 133.94 48.66 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.386 -0.968 . . . . 72.11 108.386 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.529 HG22 ' HD2' ' A' ' 87' ' ' ARG . 58.3 m -84.65 133.55 34.4 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 120.823 0.344 . . . . 74.45 110.368 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.517 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -98.08 121.11 39.6 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 107.822 -1.177 . . . . 74.05 107.822 171.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -94.3 160.96 14.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.574 0.702 . . . . 74.15 111.384 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.499 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 42.3 ttm180 -101.78 113.38 26.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.057 -1.429 . . . . 73.24 108.412 -173.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.94 110.2 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.445 1.098 . . . . 61.53 108.841 177.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.3 122.76 13.28 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.636 1.575 . . . . 65.42 112.282 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.86 -16.7 56.19 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.756 -0.657 . . . . 61.21 113.429 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -88.21 120.74 29.86 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.664 0.786 . . . . 71.4 110.173 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.2 t -60.19 -24.67 64.98 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.377 1.471 . . . . 71.3 113.391 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.3 m -98.85 166.99 11.04 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.069 0.547 . . . . 75.53 111.249 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . 82.9 mt -101.36 137.48 39.65 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.715 1.206 . . . . 75.04 108.892 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -94.02 97.18 10.15 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.965 -0.754 . . . . 72.33 108.965 -170.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 104' ' ' ALA . 55.1 t -104.96 107.22 58.17 Favored Pre-proline 0 N--CA 1.483 1.223 0 C-N-CA 123.008 0.523 . . . . 71.41 110.146 -176.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.8 144.97 17.66 Favored 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 122.215 1.943 . . . . 74.4 110.071 168.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -159.57 156.48 28.13 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 122.372 -0.205 . . . . 74.43 110.562 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.8 p -121.15 145.8 47.44 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.096 -0.705 . . . . 75.45 109.096 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -118.29 -173.77 2.53 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.547 1.139 . . . . 70.12 109.035 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -81.03 -21.47 40.12 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 109.994 -0.373 . . . . 75.44 109.994 163.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.9 m -71.53 -34.89 70.45 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.171 0.988 . . . . 64.34 111.004 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 60.4 p -71.41 -39.31 71.18 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.708 -0.678 . . . . 73.25 109.822 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.07 -35.21 77.95 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.131 0.972 . . . . 74.54 110.941 172.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -74.6 -18.53 60.55 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.551 1.14 . . . . 74.45 110.849 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 92.33 -21.59 37.09 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 119.138 -0.812 . . . . 63.43 114.96 175.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -73.19 -12.5 60.9 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 117.881 0.841 . . . . 73.32 113.205 -170.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.542 ' HB ' ' HD3' ' A' ' 132' ' ' ARG . 59.9 p -123.63 155.98 36.7 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 106.538 -1.653 . . . . 71.52 106.538 159.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -40.89 118.19 0.95 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 113.685 0.994 . . . . 71.22 113.685 -170.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.15 -34.87 70.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.605 1.162 . . . . 74.44 112.69 -173.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.486 ' HD1' ' HZ ' ' A' ' 165' ' ' PHE . 41.2 m80 -84.36 9.01 14.27 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.543 0.737 . . . . 72.53 111.591 -177.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 108.02 178.21 22.13 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 116.049 -0.523 . . . . 75.05 112.273 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.542 ' HD3' ' HB ' ' A' ' 127' ' ' THR . 78.3 mtm180 -130.74 -179.97 5.61 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 124.903 1.281 . . . . 73.04 108.854 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -126.49 157.46 38.65 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 124.686 1.195 . . . . 73.31 109.986 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.9 tt -141.93 121.13 13.02 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 105.28 -2.118 . . . . 72.34 105.28 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -98.19 109.34 22.11 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.096 -1.446 . . . . 75.41 107.096 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 113' ' ' LEU . 89.0 t -98.92 123.5 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 115.279 -0.873 . . . . 74.21 110.506 -169.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -82.35 114.71 53.33 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 107.115 -1.439 . . . . 65.23 107.115 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.33 -23.89 72.02 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.768 2.312 . . . . 74.33 113.619 -175.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 52.85 32.14 11.88 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 114.294 1.22 . . . . 73.21 114.294 176.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 65.86 25.76 71.98 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.661 -0.7 . . . . 73.43 113.997 -176.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.65 163.4 23.9 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.239 0.829 . . . . 65.4 113.239 -175.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -139.09 174.17 10.79 Favored 'General case' 0 C--O 1.253 1.275 0 C-N-CA 124.772 1.229 . . . . 72.11 108.119 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.66 108.74 2.12 Favored Glycine 0 C--N 1.342 0.917 0 C-N-CA 123.27 0.462 . . . . 75.3 113.495 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.35 10.44 44.77 Favored Glycine 0 C--N 1.343 0.949 0 O-C-N 124.142 0.554 . . . . 74.14 113.317 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.48 -170.75 3.22 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 109.33 -0.618 . . . . 75.54 109.33 167.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -128.15 158.73 37.23 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.775 0.43 . . . . 62.33 110.38 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 15.9 m -135.94 146.51 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 108.429 -0.952 . . . . 75.43 108.429 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.8 105.96 6.11 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 122.738 0.415 . . . . 61.03 110.506 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 7.3 mt -94.81 86.32 4.67 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-O 122.548 1.166 . . . . 75.1 109.228 173.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.64 105.97 17.71 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 113.421 -1.718 . . . . 74.12 109.027 173.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.512 ' HB3' HG23 ' A' ' 180' ' ' ILE . 24.9 m-85 -71.59 -15.27 62.26 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.514 0.726 . . . . 73.45 110.481 174.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . 0.525 ' HB3' ' HB2' ' A' ' 182' ' ' ALA . 2.0 p-10 -76.69 -3.83 40.06 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.56 1.144 . . . . 73.2 112.681 173.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -112.44 5.61 18.18 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.176 0.591 . . . . 74.41 111.151 168.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.79 131.02 49.62 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.41 0.624 . . . . 74.11 111.845 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -99.45 166.47 11.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.103 1.361 . . . . 74.01 109.665 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -152.48 141.97 14.57 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 124.467 1.107 . . . . 74.1 108.165 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.39 120.43 7.38 Favored 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 121.212 1.274 . . . . 71.11 110.605 177.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -85.6 -2.75 58.49 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.742 0.817 . . . . 75.21 112.338 -175.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 11.0 m -62.02 -20.4 63.88 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.183 0.993 . . . . 64.24 112.197 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.7 -32.47 73.97 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.0 0.52 . . . . 60.03 112.063 174.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -65.07 -12.3 49.1 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.652 0.781 . . . . 74.43 110.962 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.665 ' HA2' ' HD3' ' A' ' 39' ' ' PRO . . . -93.23 -40.13 4.91 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 124.122 0.889 . . . . 54.44 111.042 172.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 163.71 -40.65 0.32 Allowed Glycine 0 C--N 1.352 1.434 0 O-C-N 123.39 0.112 . . . . 53.33 112.876 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.1 t -157.26 162.29 39.21 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.037 0.935 . . . . 72.41 109.542 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.486 ' HZ ' ' HD1' ' A' ' 130' ' ' HIS . 2.0 p90 -152.96 139.19 18.39 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.667 0.387 . . . . 72.33 110.868 -168.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 63.3 p -83.64 94.12 8.03 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 109.26 -0.645 . . . . 75.22 109.26 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 53.2 t -121.93 112.68 18.6 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 108.229 -1.026 . . . . 65.34 108.229 173.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.611 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . . . -71.15 112.19 7.1 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 108.225 -1.028 . . . . 75.2 108.225 170.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 68.6 mt -59.18 122.69 65.24 Favored Pre-proline 0 CA--C 1.547 0.864 0 O-C-N 124.405 1.065 . . . . 71.31 109.613 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.71 146.67 96.54 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.792 2.328 . . . . 73.34 112.479 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.19 158.73 21.05 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 122.243 1.962 . . . . 74.23 112.571 168.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -54.04 -27.96 35.58 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 114.022 1.119 . . . . 75.14 114.022 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -79.46 -15.39 57.88 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.178 0.513 . . . . 74.05 110.753 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.446 HD22 ' H ' ' A' ' 103' ' ' THR . 9.0 m120 -88.73 8.24 29.79 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.163 0.985 . . . . 74.41 110.66 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -90.25 122.86 33.55 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.854 -0.529 . . . . 71.13 109.91 172.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 41.4 t -98.43 109.99 54.83 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.568 1.147 . . . . 74.24 108.094 170.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.69 57.04 2.4 Favored 'Trans proline' 0 C--N 1.374 1.913 0 C-N-CA 124.087 3.191 . . . . 73.44 113.274 173.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -146.06 145.1 30.44 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.292 1.037 . . . . 73.45 108.892 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -84.35 103.5 13.57 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.281 0.633 . . . . 72.51 109.441 177.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 151' ' ' PHE . 1.9 mp -85.95 98.02 6.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 108.463 -0.94 . . . . 74.21 108.463 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 40.7 p -105.44 67.75 0.78 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 122.547 1.165 . . . . 73.51 108.77 171.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 152' ' ' ASN . . . . . . . . 0 N--CA 1.473 0.683 0 CA-C-N 113.571 -1.65 . . . . 64.13 106.79 170.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 tt . . . . . 0 CA--C 1.561 1.369 0 N-CA-C 109.314 -0.624 . . . . 74.2 109.314 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.439 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 19.5 Cg_endo -67.48 127.43 16.45 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 121.936 1.757 . . . . 74.43 110.997 -177.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mt -172.63 -59.98 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.192 1.397 . . . . 74.34 108.953 -173.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -84.06 36.25 0.58 Allowed 'Trans proline' 0 C--N 1.393 2.874 0 C-N-CA 122.201 1.934 . . . . 73.33 112.618 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.65 -28.85 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.671 0.788 . . . . 74.11 109.603 171.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -87.78 104.13 16.28 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 106.432 -1.692 . . . . 75.25 106.432 156.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -71.53 -179.3 2.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.379 -0.826 . . . . 75.31 111.833 -169.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.8 t -54.24 135.45 44.28 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 109.225 -0.657 . . . . 75.51 109.225 172.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -45.86 -38.35 7.26 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 115.105 1.521 . . . . 72.35 115.105 -159.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.29 -52.61 21.61 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.915 0.486 . . . . 72.33 110.712 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -63.42 -42.83 98.74 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.748 0.819 . . . . 75.24 110.408 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.454 ' NE1' HD13 ' A' ' 19' ' ' ILE . 28.2 t90 -56.91 -49.11 76.59 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.885 1.274 . . . . 75.23 110.788 177.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.21 -42.67 99.01 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.476 -0.784 . . . . 74.43 110.735 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.48 99.35 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.777 0.673 . . . . 61.24 111.979 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 34.6 mmt180 -63.05 -47.84 81.27 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.71 0.404 . . . . 74.4 110.35 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.596 HG23 HD11 ' A' ' 153' ' ' LEU . 57.4 mt -65.31 -37.73 80.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 116.388 -0.369 . . . . 75.44 110.492 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . . . -60.6 -44.17 96.56 Favored 'General case' 0 C--O 1.251 1.169 0 C-N-CA 123.032 0.533 . . . . 75.33 110.314 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.29 93.61 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.92 -1.037 . . . . 73.1 110.445 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -68.78 -32.48 72.24 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.871 -0.604 . . . . 62.1 111.498 175.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HE ' ' HA ' ' A' ' 20' ' ' ALA . 71.7 mtm180 -65.47 -51.47 59.88 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 107.668 -1.234 . . . . 75.01 107.668 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.55 -51.83 65.75 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.382 1.051 . . . . 72.13 111.301 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.53 -53.59 27.16 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 124.013 0.821 . . . . 74.5 112.046 -174.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 155' ' ' TYR . 29.3 mmmt -71.74 -20.28 61.91 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.649 0.379 . . . . 74.23 111.346 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.0 -38.39 27.58 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.156 0.582 . . . . 62.13 111.058 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -84.25 -16.66 42.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 122.249 -0.282 . . . . 64.35 111.104 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -47.5 -53.6 13.87 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.574 1.55 . . . . 73.41 112.107 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.516 ' H ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.91 -8.88 52.36 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.4 -0.818 . . . . 75.02 113.182 -174.128 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.51 -51.03 3.42 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.202 0.601 . . . . 64.53 110.295 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -81.46 -58.49 3.01 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.433 0.693 . . . . 61.4 110.848 -170.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -52.93 106.36 0.16 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.491 1.117 . . . . 75.11 110.915 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -76.69 -8.56 57.5 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.428 0.691 . . . . 73.4 111.682 -173.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -11.83 58.64 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.107 0.563 . . . . 72.4 109.821 172.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -142.35 59.09 8.38 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.247 0.619 . . . . 53.54 109.459 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -84.11 166.27 12.83 Favored 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.561 2.174 . . . . 74.11 113.376 -172.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -118.59 136.77 24.27 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 124.13 0.972 . . . . 72.14 108.661 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.2 135.21 59.21 Favored 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.057 2.505 . . . . 75.4 112.649 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.504 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 11.9 Cg_endo -52.73 -19.37 10.56 Favored 'Trans proline' 0 C--N 1.387 2.596 0 C-N-CA 124.063 3.175 . . . . 72.42 114.576 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.33 57.69 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.64 0.376 . . . . 63.42 111.323 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.43 -37.08 52.46 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.067 0.547 . . . . 74.41 110.002 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 75.3 ttt180 -68.23 -14.5 63.03 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.11 -0.95 . . . . 73.4 111.594 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.52 -36.43 92.57 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 111.51 -0.636 . . . . 73.31 111.51 171.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.82 2.19 31.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.842 0.857 . . . . 72.14 113.214 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -81.15 112.79 18.83 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 109.255 -0.646 . . . . 71.3 109.255 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -138.52 24.7 2.66 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.388 -1.338 . . . . 72.21 107.388 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.95 115.66 2.6 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 114.438 -1.256 . . . . 53.0 110.245 -165.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.48 176.93 5.64 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 117.561 0.68 . . . . 73.4 109.731 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -70.83 112.88 7.37 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.197 0.522 . . . . 71.12 109.863 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -128.25 118.89 24.09 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.125 -1.435 . . . . 71.2 107.125 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -83.03 175.15 10.25 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.249 1.019 . . . . 74.34 109.761 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -78.04 169.97 17.38 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.575 -0.898 . . . . 70.31 108.575 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 mp -73.38 116.07 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 N-CA-C 109.523 -0.547 . . . . 71.24 109.523 -173.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -90.6 105.34 17.75 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.089 0.956 . . . . 75.24 110.339 -172.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.65 -17.1 58.06 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.19 0.596 . . . . 70.51 112.577 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.2 t -67.32 -47.46 70.47 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.562 0.745 . . . . 62.54 111.552 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -94.59 34.69 1.29 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.219 1.008 . . . . 73.25 112.598 -175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 31.6 ptt180 -104.17 102.96 12.68 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.935 -1.135 . . . . 74.15 107.935 162.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.4 m -100.53 161.0 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.184 -0.673 . . . . 73.53 109.184 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.36 113.33 26.74 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.373 -0.973 . . . . 71.11 108.373 175.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.433 ' HB2' ' HB3' ' A' ' 91' ' ' LEU . . . -104.23 131.36 51.63 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.349 0.66 . . . . 73.51 109.909 -173.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -74.18 118.23 16.9 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 123.504 0.721 . . . . 74.32 109.14 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -84.34 123.34 30.08 Favored 'General case' 0 C--O 1.253 1.284 0 C-N-CA 124.65 1.18 . . . . 73.23 110.262 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -128.3 105.07 19.71 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.06 0.944 . . . . 74.31 108.601 170.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 52.6 Cg_endo -66.42 150.04 84.47 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.458 2.105 . . . . 55.4 111.074 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.91 122.42 17.32 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.641 0.376 . . . . 63.35 110.642 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -54.41 -39.85 67.69 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.288 1.035 . . . . 75.12 111.462 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -128.52 94.17 36.08 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 123.353 0.661 . . . . 73.15 110.038 172.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.41 120.73 7.99 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.125 1.883 . . . . 73.22 111.188 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.445 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 10.9 pt-20 -139.16 156.23 47.28 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.252 0.621 . . . . 74.24 110.828 -176.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.56 121.45 25.26 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 123.57 0.544 . . . . 71.25 110.492 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.2 m -118.81 155.2 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.154 1.381 . . . . 74.45 108.563 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.86 129.35 46.72 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.402 0.62 . . . . 75.22 109.663 176.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -108.48 133.93 51.96 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 106.037 -1.838 . . . . 73.31 106.037 170.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.56 ' HB2' ' HB2' ' A' ' 169' ' ' LEU . 42.0 mt-10 -65.5 162.93 16.96 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 117.939 0.336 . . . . 71.43 110.455 -176.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.4 p -135.03 159.2 42.26 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.09 -0.707 . . . . 73.41 109.09 173.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.9 p -85.97 -22.91 27.11 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.124 -0.944 . . . . 71.33 110.863 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.448 ' HD3' ' HB3' ' A' ' 166' ' ' SER . 35.1 ptt85 -84.84 -25.42 28.09 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.438 0.903 . . . . 75.02 113.438 -175.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.84 -118.19 0.88 Allowed Glycine 0 N--CA 1.475 1.299 0 CA-C-O 118.667 -1.074 . . . . 50.41 112.475 -171.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -57.39 135.55 70.71 Favored 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 123.507 2.805 . . . . 72.41 112.601 -174.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.75 147.06 74.72 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.898 2.399 . . . . 73.13 112.639 -174.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.55 109.66 17.58 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.885 0.874 . . . . 74.21 109.103 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.12 127.53 41.25 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.783 0.433 . . . . 73.23 110.446 -176.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.54 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.7 m-85 -138.2 155.56 48.55 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.375 0.67 . . . . 73.1 109.226 -174.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 74.1 m -87.51 152.3 22.32 Favored 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 109.52 -0.548 . . . . 74.21 109.52 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.445 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 26.0 mtm180 -77.38 109.51 11.36 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.995 0.816 . . . . 74.15 109.786 174.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 106' ' ' ARG . . . -88.83 -54.24 4.23 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.099 0.476 . . . . 72.45 111.06 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -156.0 172.48 18.32 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.352 -0.84 . . . . 72.52 110.91 -171.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 36.5 t -136.08 120.37 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 N-CA-C 106.955 -1.498 . . . . 73.12 106.955 173.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . 3.2 mm? -101.39 120.32 40.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.597 1.159 . . . . 73.3 110.873 -176.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.77 129.71 9.97 Favored Glycine 0 C--N 1.347 1.151 0 N-CA-C 110.777 -0.929 . . . . 62.51 110.777 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -152.19 -173.03 4.41 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 117.793 0.796 . . . . 73.44 108.993 -175.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.559 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 6.7 p-10 -129.07 139.9 51.82 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 122.516 0.326 . . . . 71.02 110.643 173.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.6 mt -146.89 139.89 25.27 Favored 'General case' 0 C--O 1.257 1.471 0 C-N-CA 124.594 1.158 . . . . 72.25 109.75 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.6 -109.27 2.25 Favored Glycine 0 C--N 1.347 1.191 0 O-C-N 124.045 0.841 . . . . 74.23 114.231 167.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.06 -31.09 62.71 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.615 1.166 . . . . 73.45 113.17 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.2 m -159.92 -179.41 7.79 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 114.504 1.298 . . . . 72.52 114.504 -166.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 56.4 p-80 -84.48 119.72 25.48 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.201 -1.363 . . . . 74.34 108.595 171.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -127.55 163.12 24.87 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.801 0.84 . . . . 73.23 110.0 -171.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.0 m -135.81 141.8 44.77 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.141 -0.481 . . . . 74.55 111.169 -168.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.8 mt -123.19 141.35 52.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.635 0.774 . . . . 71.15 109.822 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.7 m -92.27 130.1 38.05 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.825 -0.435 . . . . 71.25 109.825 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.446 ' HA ' HG23 ' A' ' 115' ' ' VAL . . . -102.59 130.45 49.47 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.272 1.029 . . . . 73.34 109.666 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.54 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 55.1 m-85 -105.47 154.5 20.26 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 112.367 0.506 . . . . 71.22 112.367 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.54 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 55.9 ttm-85 -106.54 130.86 54.24 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.113 0.965 . . . . 71.41 108.783 -178.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.564 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 70.5 t -109.82 128.58 65.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.117 -0.947 . . . . 72.31 108.69 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.44 131.62 50.66 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.811 0.844 . . . . 73.3 110.389 172.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.06 -23.82 8.88 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.919 -0.378 . . . . 70.52 113.068 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.564 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 12.1 tp10 -105.07 130.83 53.17 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.552 0.741 . . . . 73.11 110.186 -176.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.7 t -81.52 -18.84 43.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.147 0.979 . . . . 61.34 111.746 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.3 m -95.38 138.56 32.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.054 0.542 . . . . 72.41 110.859 -176.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 138' ' ' PRO . 22.8 mt -81.9 130.16 34.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.533 1.133 . . . . 74.32 110.594 -176.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -88.06 112.67 22.89 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.073 -0.714 . . . . 75.02 109.073 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 104' ' ' ALA . 40.3 t -114.43 98.56 49.28 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.286 1.035 . . . . 72.51 109.024 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -80.04 130.59 8.46 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 122.254 1.97 . . . . 75.41 109.615 165.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -153.02 156.2 38.34 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.23 0.538 . . . . 75.14 112.017 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.6 p -113.55 155.33 25.59 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.898 -1.046 . . . . 73.14 108.634 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -137.07 -168.12 2.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.889 0.876 . . . . 72.53 109.152 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.06 -26.26 48.16 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.208 0.458 . . . . 74.42 111.079 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -25.74 68.0 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 123.955 0.902 . . . . 74.1 111.744 -175.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.443 HG21 ' HD1' ' A' ' 128' ' ' TYR . 69.8 p -66.53 -36.64 83.19 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.898 0.879 . . . . 73.13 112.191 176.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.88 -17.87 64.05 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.367 -0.833 . . . . 62.51 111.877 -174.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -74.08 -21.37 59.94 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.332 0.653 . . . . 72.13 111.545 173.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.24 -15.52 11.61 Favored Glycine 0 C--N 1.352 1.454 0 N-CA-C 115.134 0.814 . . . . 64.41 115.134 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -71.59 -53.9 12.22 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 117.523 0.661 . . . . 75.1 110.112 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.7 p -94.49 133.98 37.52 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 118.403 -0.808 . . . . 71.52 109.293 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.443 ' HD1' HG21 ' A' ' 122' ' ' THR . 7.3 p90 24.7 68.09 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 126.153 1.781 . . . . 71.21 114.721 165.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.06 -10.29 4.12 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 114.528 1.307 . . . . 74.31 114.528 -168.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -107.78 10.55 28.73 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.684 0.794 . . . . 72.43 112.343 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.425 ' HA2' HG22 ' A' ' 122' ' ' THR . . . 107.41 174.67 22.5 Favored Glycine 0 C--N 1.343 0.967 0 N-CA-C 111.476 -0.65 . . . . 71.12 111.476 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -119.86 153.53 35.68 Favored 'General case' 0 C--O 1.256 1.403 0 C-N-CA 124.113 0.965 . . . . 73.35 108.478 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.584 ' HD2' ' HD2' ' A' ' 155' ' ' TYR . 0.0 OUTLIER -100.55 165.13 11.57 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.236 -1.024 . . . . 75.42 108.236 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.448 HD22 HG22 ' A' ' 136' ' ' VAL . 0.8 OUTLIER -149.01 145.27 27.22 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 107.27 -1.382 . . . . 75.41 107.27 170.259 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 4.2 p-10 -121.38 101.27 7.52 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 107.463 -1.31 . . . . 71.44 107.463 171.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.448 HG22 HD22 ' A' ' 134' ' ' LEU . 46.6 t -95.25 139.91 17.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 115.142 -0.936 . . . . 65.44 109.113 -171.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -85.81 117.59 69.01 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 108.03 -1.1 . . . . 70.34 108.03 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.418 ' HB3' HD11 ' A' ' 113' ' ' LEU . 35.4 Cg_endo -65.41 -24.41 57.18 Favored 'Trans proline' 0 C--N 1.382 2.317 0 C-N-CA 122.535 2.157 . . . . 62.21 112.376 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 62.91 19.62 11.68 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.739 1.275 . . . . 75.41 111.771 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.96 37.68 53.88 Favored Glycine 0 C--N 1.358 1.765 0 CA-C-N 116.145 -0.48 . . . . 74.42 113.815 -166.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.56 161.96 27.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.435 0.694 . . . . 74.24 110.1 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -136.3 -173.35 3.38 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.094 0.558 . . . . 74.4 110.69 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.38 108.66 2.04 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-N 115.012 -0.995 . . . . 64.03 113.126 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.8 -9.16 34.42 Favored Glycine 0 C--N 1.336 0.574 0 CA-C-O 119.506 -0.608 . . . . 74.53 113.463 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.439 ' HB3' ' HG2' ' A' ' 5' ' ' PRO . 26.5 m-20 -80.92 -179.63 7.41 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.544 -0.91 . . . . 75.24 108.544 169.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -138.9 155.34 48.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.69 0.757 . . . . 72.34 111.308 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.04 146.08 28.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 N-CA-C 107.294 -1.372 . . . . 73.52 107.294 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.89 122.1 25.02 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.905 -0.406 . . . . 74.21 109.905 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.4 mt -92.48 85.07 5.22 Favored 'General case' 0 C--O 1.249 1.054 0 N-CA-C 107.821 -1.177 . . . . 73.24 107.821 169.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.475 ' HB2' HD22 ' A' ' 153' ' ' LEU . 2.9 m-20 -79.71 100.85 8.09 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 114.23 -1.35 . . . . 61.11 107.479 170.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -69.4 -14.73 63.06 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.203 0.601 . . . . 75.4 110.766 178.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 39.8 p30 -70.24 -23.82 62.97 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.471 0.708 . . . . 72.51 112.236 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -75.72 -20.92 58.0 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 118.878 -0.582 . . . . 70.54 111.414 176.08 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -40.49 139.25 0.81 Allowed 'General case' 0 N--CA 1.482 1.157 0 O-C-N 125.153 1.533 . . . . 74.21 114.064 -164.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.584 ' HD2' ' HD2' ' A' ' 133' ' ' TYR . 54.0 t80 -96.12 165.18 12.36 Favored 'General case' 0 C--O 1.262 1.712 0 CA-C-N 115.16 -0.927 . . . . 75.53 109.802 -168.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -94.56 122.2 61.46 Favored Pre-proline 0 N--CA 1.446 -0.653 0 CA-C-N 114.055 -1.43 . . . . 74.54 112.037 -160.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . 0.431 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 6.7 Cg_exo -76.3 125.6 8.57 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.561 2.174 . . . . 74.12 108.136 162.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.453 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 69.5 m-85 -74.38 -4.59 37.37 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.849 0.685 . . . . 73.32 112.849 -172.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 66.1 m -64.78 -25.52 67.96 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.818 0.847 . . . . 72.42 111.392 170.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -80.91 9.69 6.09 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.981 0.913 . . . . 73.55 112.02 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . 0.453 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 37.3 m-85 -115.16 -8.87 12.36 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.316 1.047 . . . . 73.42 108.999 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.56 -87.64 0.82 Allowed Glycine 0 C--N 1.351 1.396 0 CA-C-N 115.877 -0.601 . . . . 63.24 113.26 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -94.95 22.76 36.45 Favored Glycine 0 N--CA 1.476 1.349 0 N-CA-C 114.561 0.584 . . . . 65.44 114.561 -165.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 16.5 p -140.04 68.9 1.35 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.367 -1.346 . . . . 74.02 107.367 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -88.83 78.47 7.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.852 0.834 . . . . 74.23 110.879 -162.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.448 ' HB3' ' HD3' ' A' ' 79' ' ' ARG . 16.2 p -119.37 100.77 7.51 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.705 0.802 . . . . 71.32 110.25 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 157' ' ' PRO . 43.8 t -130.28 133.61 46.62 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.518 0.727 . . . . 63.22 110.074 174.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -80.56 99.68 8.21 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 108.903 -0.777 . . . . 65.42 108.903 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.56 ' HB2' ' HB2' ' A' ' 76' ' ' GLU . 62.0 mt -68.13 121.69 81.12 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.363 1.065 . . . . 75.53 110.378 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.498 ' HB2' ' HB2' ' A' ' 174' ' ' ASN . 68.5 Cg_endo -82.33 166.13 16.24 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 123.09 2.526 . . . . 70.52 112.868 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.98 169.57 21.87 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.283 1.989 . . . . 73.13 111.767 169.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.15 -21.12 64.8 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.361 0.664 . . . . 72.13 112.194 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.04 -22.78 63.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.003 0.921 . . . . 73.23 111.056 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 170' ' ' PRO . 3.9 m-20 -104.37 35.78 2.6 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.066 0.947 . . . . 74.45 109.833 176.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -109.44 124.23 50.68 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 109.042 -0.725 . . . . 74.34 109.042 170.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 41.8 t -97.49 120.26 61.11 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 108.613 -0.884 . . . . 73.41 108.613 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -73.62 50.05 1.94 Allowed 'Trans proline' 0 C--N 1.37 1.664 0 C-N-CA 123.792 2.995 . . . . 75.34 112.944 171.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -145.83 152.48 39.58 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.166 0.986 . . . . 74.12 108.555 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -93.44 113.07 25.13 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.762 0.425 . . . . 75.3 110.094 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.3 mp -96.87 98.27 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 108.274 -1.01 . . . . 74.22 108.274 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 26.9 p -97.31 58.39 1.5 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.488 1.137 . . . . 75.14 109.714 174.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.841 0 CA-C-N 113.65 -1.613 . . . . 71.33 107.454 176.789 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.3 tt . . . . . 0 CA--C 1.575 1.937 0 N-CA-C 110.048 -0.353 . . . . 72.14 110.048 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.91 126.75 10.23 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.578 2.185 . . . . 74.34 111.446 -174.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -166.68 -55.05 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 124.378 1.071 . . . . 72.54 109.941 -170.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -84.82 26.18 0.66 Allowed 'Trans proline' 0 C--N 1.399 3.218 0 C-N-CA 122.343 2.028 . . . . 73.13 111.863 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.18 -26.32 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.418 1.487 . . . . 72.23 110.914 177.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -86.3 33.29 0.62 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.167 1.387 . . . . 71.14 110.673 173.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.404 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 1.2 m-20 40.94 -153.38 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.935 1.294 . . . . 63.53 113.83 -174.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -103.33 152.75 21.19 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 106.06 -1.83 . . . . 75.51 106.06 166.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -43.3 -45.44 5.92 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 114.901 1.445 . . . . 63.44 114.901 -168.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.84 -48.37 71.86 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.853 0.461 . . . . 64.34 111.86 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . . . -67.26 -34.79 78.16 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.69 0.796 . . . . 62.34 111.744 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.486 ' O ' HG13 ' A' ' 19' ' ' ILE . 41.8 t90 -67.0 -44.97 78.99 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.772 1.229 . . . . 74.43 109.367 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -60.56 -39.64 88.72 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.847 -1.069 . . . . 75.34 110.546 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.02 -37.5 86.04 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.57 0.748 . . . . 74.52 112.093 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.436 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 2.7 mmp_? -61.42 -45.31 94.84 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.769 0.428 . . . . 72.32 110.752 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.517 HG21 HD11 ' A' ' 54' ' ' ILE . 58.0 mt -64.54 -48.1 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 123.965 0.791 . . . . 74.14 110.59 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.42 90.31 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.475 0.71 . . . . 71.21 111.433 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -46.81 74.37 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.631 0.772 . . . . 73.15 111.38 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -65.87 -35.63 81.19 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.006 0.922 . . . . 71.24 111.029 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -72.05 -44.04 63.98 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.466 1.106 . . . . 72.13 109.178 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.89 94.63 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.76 0.663 . . . . 63.55 110.584 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.78 -56.44 21.76 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 124.347 1.029 . . . . 72.53 110.414 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -66.06 -15.97 63.52 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.607 0.763 . . . . 74.33 112.711 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.3 -52.65 6.37 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.11 0.564 . . . . 63.15 110.783 175.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.87 -18.11 41.42 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 112.997 0.74 . . . . 74.3 112.997 -173.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.53 -52.19 66.41 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.07 0.548 . . . . 75.14 111.587 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.548 HD23 HD23 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.3 -9.15 58.42 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.167 -0.47 . . . . 74.42 112.03 -174.707 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.7 -49.55 6.79 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.428 0.691 . . . . 75.04 111.02 175.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.4 p -94.73 -57.28 2.51 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.845 0.858 . . . . 74.21 112.134 -171.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -64.79 127.49 31.76 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.622 0.769 . . . . 71.13 112.167 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -79.68 -6.87 58.06 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.846 1.259 . . . . 72.45 111.334 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.24 -5.2 34.22 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.848 0.859 . . . . 63.12 112.245 170.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.497 ' HA ' ' HZ ' ' A' ' 165' ' ' PHE . 43.5 t -156.95 80.72 3.46 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 107.925 -1.139 . . . . 73.5 107.925 172.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.03 126.35 5.02 Favored 'Trans proline' 0 C--N 1.366 1.5 0 C-N-CA 121.794 1.662 . . . . 73.22 112.017 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.472 HD11 HD21 ' A' ' 30' ' ' LEU . 44.0 mt -68.9 135.36 89.81 Favored Pre-proline 0 CA--C 1.559 1.301 0 N-CA-C 108.454 -0.943 . . . . 65.51 108.454 170.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -46.39 131.42 15.09 Favored 'Trans proline' 0 C--N 1.385 2.47 0 C-N-CA 123.632 2.888 . . . . 62.52 112.52 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -53.38 -30.41 52.64 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 124.822 3.681 . . . . 73.03 116.38 -162.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.52 -41.56 65.76 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.042 0.448 . . . . 53.55 110.899 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.49 -38.19 62.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.189 0.996 . . . . 64.51 109.13 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -71.96 -22.93 61.38 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.899 -1.046 . . . . 74.51 110.646 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.73 -39.81 90.12 Favored Glycine 0 C--N 1.346 1.114 0 N-CA-C 111.625 -0.59 . . . . 72.22 111.625 172.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.19 11.64 13.58 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.992 0.917 . . . . 74.25 113.043 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -80.33 131.35 35.62 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.962 0.41 . . . . 74.42 110.805 -173.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -127.32 -39.0 1.91 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.54 1.136 . . . . 74.14 108.932 166.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.22 146.34 4.64 Favored Glycine 0 C--N 1.343 0.947 0 CA-C-O 119.347 -0.696 . . . . 53.13 111.536 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.548 HD23 HD23 ' A' ' 30' ' ' LEU . 2.4 mm? -70.79 146.23 49.88 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.99 0.516 . . . . 74.01 110.236 -175.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -72.48 115.87 12.26 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.042 -0.725 . . . . 74.14 109.042 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -91.47 138.9 31.21 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.511 -0.768 . . . . 71.04 109.848 -172.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -86.25 158.36 19.73 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.016 0.926 . . . . 74.05 109.742 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.81 162.83 28.48 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.377 0.671 . . . . 75.41 110.841 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.517 HD11 HG21 ' A' ' 19' ' ' ILE . 23.3 mm -86.38 113.39 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.88 -0.785 . . . . 75.31 108.88 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -93.18 95.05 9.15 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 123.692 0.797 . . . . 65.24 109.561 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.87 -9.96 59.65 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.136 -0.938 . . . . 71.01 111.009 173.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.8 m -66.69 -51.73 52.79 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.741 0.816 . . . . 73.34 111.17 172.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -92.72 31.46 1.37 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.918 0.887 . . . . 73.51 113.276 -171.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 6.2 ptm180 -99.92 100.2 11.08 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.483 0.659 . . . . 74.44 109.308 173.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.4 m -101.46 173.47 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 121.739 -0.601 . . . . 72.2 110.003 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.94 120.93 36.9 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.026 -1.101 . . . . 65.02 108.026 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.59 141.23 38.2 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.629 0.772 . . . . 72.42 109.624 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -74.25 113.08 11.04 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.119 -0.697 . . . . 72.11 109.119 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -74.15 119.92 19.02 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 123.591 0.756 . . . . 75.13 109.653 -177.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -117.0 114.52 39.07 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 107.087 -1.449 . . . . 73.13 107.087 169.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -70.03 157.29 60.36 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 122.021 1.814 . . . . 74.3 110.811 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.04 110.38 2.13 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.118 -0.697 . . . . 75.03 109.118 170.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -51.28 -36.35 41.87 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.493 1.117 . . . . 74.53 111.436 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -156.69 104.62 1.97 Allowed Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 107.906 -1.146 . . . . 65.44 107.906 169.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.33 141.59 93.18 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 123.396 2.731 . . . . 70.31 114.099 -174.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -136.0 161.8 34.65 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.966 1.307 . . . . 75.32 110.074 176.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.47 135.86 37.77 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.634 0.774 . . . . 72.34 110.279 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 25.1 m -129.12 150.91 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.746 0.818 . . . . 74.54 109.242 -178.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -102.6 109.6 21.27 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.84 -0.8 . . . . 74.11 108.84 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -93.81 122.22 36.06 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 107.344 -1.354 . . . . 73.52 107.344 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.48 ' HA ' ' HB3' ' A' ' 82' ' ' PRO . 36.5 mt-10 -66.28 147.94 52.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.87 0.468 . . . . 73.44 109.8 -176.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.427 ' HB ' ' HB2' ' A' ' 166' ' ' SER . 52.7 p -121.45 156.2 33.24 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.113 0.482 . . . . 74.23 110.711 -174.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.8 p -77.25 -39.11 49.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.644 1.178 . . . . 75.14 111.139 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -83.29 -16.91 44.42 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.17 0.988 . . . . 74.35 112.207 -170.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.3 -125.7 1.35 Allowed Glycine 0 C--N 1.359 1.808 0 CA-C-O 118.904 -0.942 . . . . 72.01 113.963 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.39 146.11 44.3 Favored 'Trans proline' 0 C--N 1.382 2.338 0 C-N-CA 123.705 2.937 . . . . 75.3 113.193 -175.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.48 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . 28.8 Cg_endo -61.0 160.68 24.89 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 123.044 2.496 . . . . 75.11 113.208 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.68 131.02 55.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.165 0.986 . . . . 72.25 110.265 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 4.5 mp0 -82.3 124.22 29.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.434 0.694 . . . . 75.22 109.533 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.562 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 46.2 m-85 -127.28 140.68 52.05 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.705 -1.22 . . . . 64.22 107.705 175.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.3 m -91.9 135.56 33.84 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 108.844 -0.798 . . . . 75.14 108.844 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -72.95 112.09 8.66 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.537 -0.542 . . . . 75.04 109.537 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 106' ' ' ARG . . . -82.96 -44.34 15.42 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 123.934 0.893 . . . . 74.45 110.737 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -161.48 175.96 11.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 114.79 -1.095 . . . . 73.11 110.439 -174.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 36.4 t -136.64 129.22 45.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 125.542 1.537 . . . . 74.05 107.197 170.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.61 121.56 41.38 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.813 0.845 . . . . 75.15 109.662 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.21 124.09 7.16 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 111.303 -0.719 . . . . 44.12 111.303 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -152.15 175.0 13.04 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 117.257 0.528 . . . . 71.14 109.753 -174.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -110.31 152.89 25.63 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 107.99 -1.115 . . . . 74.41 107.99 171.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.469 HD12 HG11 ' A' ' 176' ' ' VAL . 1.6 tt -160.21 130.35 5.37 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 106.789 -1.56 . . . . 74.33 106.789 -175.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.99 -103.63 1.5 Allowed Glycine 0 C--N 1.347 1.167 0 N-CA-C 109.725 -1.35 . . . . 73.22 109.725 -173.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -136.62 16.75 3.12 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.902 0.881 . . . . 72.41 109.283 169.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.6 m -128.8 147.09 50.77 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.131 0.572 . . . . 74.3 111.405 -170.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -86.04 136.68 33.14 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.451 -0.795 . . . . 74.12 109.369 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -140.59 149.49 42.43 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 121.521 0.677 . . . . 74.2 110.13 173.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.87 125.16 46.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 113.892 -1.504 . . . . 73.24 107.954 175.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 66.1 mt -109.39 132.96 53.64 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.52 -0.918 . . . . 74.44 108.52 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.5 m -85.59 129.78 34.74 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 109.725 -0.472 . . . . 71.43 109.725 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.08 124.94 44.45 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.985 1.314 . . . . 63.01 108.802 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.562 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 55.6 m-85 -102.22 168.56 9.28 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.925 0.89 . . . . 75.41 111.326 -176.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.519 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 49.7 ttm-85 -120.48 113.79 20.83 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.882 1.273 . . . . 74.24 107.692 -170.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.549 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 60.4 t -92.46 154.51 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.722 1.209 . . . . 75.41 109.324 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.98 101.65 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 121.752 0.787 . . . . 74.34 111.3 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 70.57 29.83 69.36 Favored Glycine 0 CA--C 1.538 1.501 0 CA-C-N 115.005 -0.998 . . . . 41.24 113.706 174.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.549 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -67.28 172.93 4.28 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.862 0.865 . . . . 72.4 112.233 -172.745 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.3 m -118.36 -36.35 3.56 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.706 0.802 . . . . 65.12 109.2 167.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.1 m -111.85 142.91 43.63 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.09 -0.959 . . . . 73.22 110.075 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.11 148.29 28.61 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.46 1.104 . . . . 61.34 109.34 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -100.29 114.69 28.36 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.796 0.838 . . . . 75.42 109.842 -172.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 88.1 t -110.23 94.8 19.35 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 109.211 -0.662 . . . . 71.43 109.211 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -84.96 111.58 1.41 Allowed 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.24 1.96 . . . . 74.2 109.547 170.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.506 ' HA ' ' HB3' ' A' ' 174' ' ' ASN . 16.7 p90 -129.65 176.15 8.23 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.188 0.995 . . . . 74.11 109.281 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.53 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.2 p -135.73 161.78 34.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.181 0.593 . . . . 75.21 109.992 175.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.12 -178.77 4.78 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.251 -1.341 . . . . 73.25 109.536 -169.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.74 -33.72 66.58 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 119.231 -0.414 . . . . 70.01 110.772 165.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 54.1 p -60.73 -46.11 91.66 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.166 0.986 . . . . 72.12 111.141 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.531 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 66.7 p -64.31 -45.18 89.06 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.786 -1.097 . . . . 74.12 110.15 177.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.2 -30.2 70.61 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.229 1.012 . . . . 70.2 112.058 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -78.07 -1.52 32.76 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.926 0.89 . . . . 71.31 111.748 174.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.6 73.44 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 123.429 0.538 . . . . 62.44 114.203 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -84.88 -29.12 25.49 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 121.525 0.678 . . . . 73.14 110.315 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.9 p -130.87 173.55 10.85 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 125.633 1.573 . . . . 61.44 109.403 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.459 ' HB3' ' ND2' ' A' ' 156' ' ' ASN . 26.1 t80 -64.28 104.32 0.74 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.006 0.523 . . . . 73.34 112.042 -166.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.531 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 15.5 pt-20 -63.94 -27.87 69.44 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.467 1.107 . . . . 74.45 113.343 -169.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -82.19 -5.95 58.85 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.476 0.711 . . . . 54.14 112.698 -172.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.63 150.36 5.22 Favored Glycine 0 C--N 1.352 1.448 0 C-N-CA 121.75 -0.262 . . . . 64.35 113.346 173.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -128.87 138.81 52.24 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.42 -1.326 . . . . 75.21 107.42 172.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.09 155.36 17.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.7 0.8 . . . . 75.44 110.729 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.05 131.82 39.28 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 107.408 -1.33 . . . . 75.44 107.408 168.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -92.77 112.81 24.89 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 108.012 -1.107 . . . . 75.45 108.012 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.0 t -116.36 112.76 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.052 -0.722 . . . . 74.25 109.052 -173.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -85.02 125.28 70.91 Favored Pre-proline 0 CA--C 1.543 0.678 0 N-CA-C 108.4 -0.963 . . . . 60.21 108.4 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -60.33 -33.55 94.33 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.941 2.427 . . . . 70.04 112.588 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 48.86 40.0 15.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.778 1.231 . . . . 71.32 112.818 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.93 37.55 53.42 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 115.107 -0.951 . . . . 75.54 114.842 -176.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -81.19 156.52 25.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.994 0.517 . . . . 73.35 111.244 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -121.82 175.45 6.27 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.758 1.223 . . . . 73.24 109.587 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -55.13 112.58 3.0 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 124.263 0.977 . . . . 71.12 113.73 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.03 0.59 58.62 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-O 119.504 -0.609 . . . . 64.43 114.108 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -79.55 -175.67 4.9 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 108.132 -1.062 . . . . 71.14 108.132 164.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -139.74 155.86 47.1 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.926 0.87 . . . . 73.42 111.955 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.8 m -132.16 162.42 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 125.684 1.594 . . . . 75.45 107.71 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.55 121.35 28.96 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 122.586 0.355 . . . . 70.04 110.359 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.3 mt -102.97 83.73 2.27 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 107.971 -1.122 . . . . 73.43 107.971 168.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.531 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 7.5 m-20 -79.42 99.1 7.04 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.487 -1.301 . . . . 73.35 107.487 174.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -66.06 -16.8 64.24 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 123.683 0.793 . . . . 74.31 112.736 -176.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -56.01 -31.45 63.09 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.791 0.837 . . . . 73.41 110.989 170.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 150' ' ' ASP . 3.5 mm? -92.16 19.9 6.46 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.377 1.071 . . . . 73.43 111.628 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.85 107.36 1.8 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 109.156 -0.683 . . . . 65.1 109.156 165.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -105.74 132.11 52.26 Favored 'General case' 0 C--O 1.212 -0.906 0 N-CA-C 108.206 -1.035 . . . . 75.01 108.206 -178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 128' ' ' TYR . 13.4 m120 -97.67 146.68 31.84 Favored Pre-proline 0 N--CA 1.481 1.1 0 N-CA-C 108.249 -1.019 . . . . 75.31 108.249 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' PRO . . . . . 0.543 ' HG2' ' SG ' ' A' ' 159' ' ' CYS . 27.2 Cg_endo -59.08 168.0 5.11 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 123.135 2.557 . . . . 71.25 113.173 -176.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.415 ' CD1' HD13 ' A' ' 30' ' ' LEU . 31.9 m-85 -66.7 -7.51 21.36 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.489 0.922 . . . . 73.42 113.489 -174.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' CYS . . . . . 0.543 ' SG ' ' HG2' ' A' ' 157' ' ' PRO . 10.4 p -72.37 -29.71 64.03 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.597 0.759 . . . . 70.44 110.918 172.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.24 61.05 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.553 0.741 . . . . 73.22 110.651 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -86.42 2.28 48.27 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.412 1.085 . . . . 74.2 110.88 174.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 101.54 -7.69 56.14 Favored Glycine 0 C--N 1.355 1.63 0 N-CA-C 114.645 0.618 . . . . 44.25 114.645 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -74.81 159.58 52.23 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-N 117.646 0.723 . . . . 75.13 113.283 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 49.5 p -83.98 70.28 10.43 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.457 0.646 . . . . 73.14 110.788 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.497 ' HZ ' ' HA ' ' A' ' 36' ' ' SER . 83.0 m-85 -123.47 164.48 18.84 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.468 0.707 . . . . 74.1 112.192 -175.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.427 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 32.7 p -99.91 130.39 46.09 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.515 -1.22 . . . . 74.51 110.586 -175.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 77' ' ' THR . 50.9 t -97.06 131.78 43.51 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.211 -0.663 . . . . 74.22 109.211 173.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.29 101.34 4.66 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.253 -1.017 . . . . 75.35 108.253 170.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.33 134.07 93.21 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 123.509 0.724 . . . . 70.1 110.119 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.53 ' HG3' HG23 ' A' ' 118' ' ' THR . 58.0 Cg_endo -68.23 145.06 65.01 Favored 'Trans proline' 0 C--N 1.369 1.637 0 C-N-CA 122.865 2.377 . . . . 73.42 113.066 -171.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -52.55 151.19 19.31 Favored 'Trans proline' 0 C--N 1.372 1.788 0 C-N-CA 122.95 2.434 . . . . 74.32 112.04 163.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -41.02 -45.24 2.58 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.313 1.227 . . . . 73.44 114.313 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -86.5 0.59 53.93 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.591 0.756 . . . . 75.55 111.915 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . 3.0 m-20 -92.62 -8.31 44.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.089 -0.505 . . . . 71.32 110.698 174.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -80.68 103.02 10.25 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 108.313 -0.995 . . . . 75.52 108.313 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 95' ' ' LEU . 47.2 t -85.45 124.37 71.65 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 123.67 0.788 . . . . 73.43 109.295 -177.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.62 50.77 3.52 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 123.92 3.08 . . . . 75.1 112.022 175.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -146.69 149.47 33.5 Favored 'General case' 0 C--O 1.247 0.966 0 C-N-CA 123.592 0.757 . . . . 64.33 109.71 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -96.97 100.35 11.86 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.291 -0.868 . . . . 74.33 110.241 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.5 mp -102.53 91.14 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 106.093 -1.818 . . . . 64.45 106.093 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 12.5 p -80.99 73.13 8.04 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.368 -0.833 . . . . 74.1 108.93 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.709 0 C-N-CA 124.947 1.299 . . . . 72.21 108.159 177.89 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.7 mtp . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 109.8 -0.445 . . . . 73.22 109.8 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -118.81 -53.62 0.04 OUTLIER Pre-proline 0 CA--C 1.56 1.335 0 CA-C-O 118.505 -0.76 . . . . 71.3 110.381 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -88.91 148.69 5.79 Favored 'Trans proline' 0 C--N 1.39 2.716 0 C-N-CA 121.511 1.474 . . . . 73.14 110.631 164.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.9 mt -66.76 124.84 89.57 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 109.588 -0.523 . . . . 73.25 109.588 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -56.96 125.84 20.3 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 123.085 2.523 . . . . 75.45 111.208 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -164.41 -47.75 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 125.917 1.687 . . . . 74.12 108.395 -168.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.82 30.42 0.49 Allowed 'Trans proline' 0 C--N 1.397 3.124 0 C-N-CA 122.168 1.912 . . . . 75.14 112.16 168.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.428 HG22 ' H ' ' A' ' 148' ' ' ALA . 25.3 m -61.53 -29.26 45.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.354 1.061 . . . . 75.03 110.77 168.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -84.17 25.92 0.8 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 124.109 0.964 . . . . 73.42 111.526 171.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 26.7 -104.47 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.511 1.524 . . . . 74.33 112.921 -164.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 t -120.38 155.54 33.21 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 105.332 -2.099 . . . . 73.11 105.332 163.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -56.28 -25.79 49.56 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 119.276 0.944 . . . . 75.02 113.187 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.64 -51.26 69.2 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.574 0.75 . . . . 72.44 109.826 172.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.42 -18.48 52.13 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.034 -0.985 . . . . 64.1 112.325 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.474 ' O ' HG13 ' A' ' 19' ' ' ILE . 25.8 t90 -75.14 -48.91 21.39 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.581 -0.896 . . . . 74.24 108.581 174.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -60.23 -39.45 86.72 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.598 -0.728 . . . . 70.15 110.135 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.18 93.3 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.548 0.739 . . . . 73.24 112.181 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.55 -54.07 46.14 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.159 0.584 . . . . 75.04 109.491 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.522 HG12 HD12 ' A' ' 153' ' ' LEU . 64.6 mt -63.93 -46.17 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.204 1.002 . . . . 71.52 111.688 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.87 95.68 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.392 0.677 . . . . 71.52 110.761 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.16 -33.17 69.78 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.256 -0.429 . . . . 62.24 111.96 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.25 -36.69 58.36 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.218 0.607 . . . . 71.23 109.893 -175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.456 HH11 ' HB2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -78.37 -31.26 48.38 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.026 -0.533 . . . . 74.34 109.972 176.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.0 82.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.961 0.504 . . . . 61.52 110.499 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.73 -54.86 36.85 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.864 -1.062 . . . . 73.02 110.377 171.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -66.45 -15.42 63.32 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.479 0.712 . . . . 75.23 112.22 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.606 ' HA ' HD23 ' A' ' 49' ' ' LEU . 24.4 t70 -80.91 -51.37 8.64 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.179 0.592 . . . . 74.04 111.018 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -83.81 -25.86 30.04 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 113.376 0.88 . . . . 73.5 113.376 -175.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.81 -42.4 89.05 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.368 0.604 . . . . 74.54 112.059 -170.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.618 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -92.4 -13.08 30.62 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.249 0.833 . . . . 74.44 113.249 -178.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.7 -44.81 8.79 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.354 0.661 . . . . 71.45 111.331 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.0 p -99.08 -57.86 2.07 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.338 1.055 . . . . 72.3 111.024 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -70.94 141.06 51.1 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.604 0.762 . . . . 75.42 111.302 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.9 -10.94 58.58 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.243 1.017 . . . . 65.13 112.405 -171.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -65.87 -24.88 66.96 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.013 0.925 . . . . 74.33 112.444 -173.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -146.38 79.52 10.54 Favored Pre-proline 0 C--O 1.212 -0.899 0 N-CA-C 108.429 -0.952 . . . . 75.11 108.429 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.21 127.45 8.36 Favored 'Trans proline' 0 C--N 1.362 1.264 0 C-N-CA 122.078 1.852 . . . . 74.42 111.811 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.618 HG13 ' HB2' ' A' ' 30' ' ' LEU . 59.6 mt -68.93 135.0 89.75 Favored Pre-proline 0 CA--C 1.554 1.127 0 N-CA-C 107.686 -1.228 . . . . 71.33 107.686 168.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -45.79 129.93 12.26 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 123.71 2.94 . . . . 72.12 112.154 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -48.01 -30.42 13.9 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 124.312 3.341 . . . . 73.13 114.768 -168.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.47 -50.25 68.19 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.76 0.424 . . . . 74.42 111.541 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.81 -35.82 50.94 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.663 0.785 . . . . 64.24 110.364 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -63.86 -32.21 73.65 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.059 0.944 . . . . 74.44 110.982 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.74 -36.2 86.89 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 116.228 -0.442 . . . . 63.25 112.435 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.4 14.52 11.05 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.669 0.788 . . . . 74.04 112.399 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -68.0 110.18 3.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.064 0.546 . . . . 74.11 110.682 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -102.72 -33.33 9.45 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.657 0.783 . . . . 74.4 109.881 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.27 144.28 3.9 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-O 119.436 -0.647 . . . . 62.32 111.971 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.606 HD23 ' HA ' ' A' ' 27' ' ' ASP . 3.7 mm? -66.62 172.24 4.37 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.78 0.832 . . . . 63.11 112.688 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.461 ' HB2' ' HG3' ' A' ' 184' ' ' GLU . 0.0 OUTLIER -75.12 134.45 41.28 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.668 -1.151 . . . . 75.42 110.794 -173.304 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.456 ' HB2' HH11 ' A' ' 23' ' ' ARG . 89.9 t80 -124.31 119.64 29.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.37 -0.974 . . . . 72.24 108.37 173.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' HE1' ' HB3' ' A' ' 50' ' ' ARG . 1.4 m-85 -99.58 154.81 17.97 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 107.807 -1.183 . . . . 62.33 107.807 174.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -67.46 142.39 56.65 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.048 -0.723 . . . . 73.44 109.048 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.81 111.36 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.278 0.986 . . . . 74.3 109.569 -172.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -100.68 105.03 16.35 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 109.511 -0.551 . . . . 74.31 109.511 -166.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.26 57.85 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.036 -0.983 . . . . 71.34 111.401 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.4 t -74.18 -33.88 63.61 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.197 0.599 . . . . 64.15 110.705 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.472 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 30.2 m-85 -88.41 6.5 37.19 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.308 0.643 . . . . 75.34 111.107 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.551 ' HG3' ' HB3' ' A' ' 150' ' ' ASP . 48.0 ttp180 -98.6 93.16 5.97 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.899 -1.519 . . . . 72.42 106.899 169.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.5 m -99.3 155.06 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 108.877 -0.786 . . . . 75.34 108.877 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.14 118.89 31.74 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.137 -1.06 . . . . 73.05 108.137 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . . . -108.41 131.31 54.9 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.621 0.768 . . . . 63.04 110.077 -172.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.01 107.34 5.31 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.49 -0.93 . . . . 75.43 108.49 -177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -76.95 126.2 30.57 Favored 'General case' 0 C--O 1.249 1.074 0 C-N-CA 123.496 0.718 . . . . 74.35 109.747 -173.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -131.48 106.8 14.46 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 108.165 -1.05 . . . . 74.01 108.165 171.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.35 151.25 65.58 Favored 'Trans proline' 0 C--N 1.366 1.453 0 C-N-CA 122.052 1.835 . . . . 75.54 110.524 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.88 97.26 1.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.375 -0.972 . . . . 61.44 108.375 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -54.48 -28.94 48.23 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.265 1.426 . . . . 71.25 111.541 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -125.52 83.91 61.0 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.509 1.124 . . . . 74.13 109.081 171.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 127.08 9.29 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.812 2.342 . . . . 74.11 111.982 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.496 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 13.4 pt-20 -136.92 157.74 46.05 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.867 0.365 . . . . 71.21 110.618 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.29 115.18 21.23 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.901 0.88 . . . . 73.13 109.937 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 15.1 m -106.41 155.58 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 108.523 -0.917 . . . . 74.42 108.523 175.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -97.93 116.71 30.69 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.502 -0.925 . . . . 74.41 108.502 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -101.29 134.06 44.93 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 107.348 -1.353 . . . . 74.51 107.348 171.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.72 157.88 26.21 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 109.934 -0.395 . . . . 64.0 109.934 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 68.0 p -139.3 150.79 45.84 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.012 -0.736 . . . . 71.4 109.012 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.441 HG21 ' SG ' ' A' ' 167' ' ' CYS . 33.9 p -77.76 -18.04 56.9 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.0 0.52 . . . . 73.35 109.845 172.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -71.9 -34.06 68.83 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.549 1.14 . . . . 63.13 112.528 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.04 -121.36 1.15 Allowed Glycine 0 C--N 1.342 0.877 0 CA-C-O 118.296 -1.28 . . . . 72.53 111.482 -175.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.09 144.25 80.64 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.037 2.491 . . . . 72.41 112.917 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -64.63 149.98 88.95 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.412 2.074 . . . . 70.5 112.526 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.65 120.98 39.01 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.864 0.866 . . . . 73.44 109.698 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 10.0 pt-20 -79.99 127.03 31.79 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.132 0.492 . . . . 74.3 110.568 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.584 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.9 m-85 -127.69 138.86 52.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.46 -0.941 . . . . 71.11 108.46 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.9 m -84.59 137.36 33.34 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.255 -0.646 . . . . 70.33 109.255 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.496 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 19.3 mtm105 -67.68 108.46 2.93 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.48 -0.933 . . . . 74.44 108.48 175.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.44 -48.16 7.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.75 0.42 . . . . 74.35 110.656 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.46 172.34 18.39 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.62 -0.718 . . . . 64.24 110.903 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.575 HG12 HG22 ' A' ' 101' ' ' THR . 23.5 t -136.49 125.81 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 125.229 1.412 . . . . 74.01 107.364 171.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.596 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 2.2 mm? -103.04 121.03 41.74 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.958 0.903 . . . . 75.03 110.989 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.62 113.8 4.84 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 111.242 -0.743 . . . . 54.15 111.242 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.637 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 27.8 p90 -141.43 174.28 10.7 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.124 -0.695 . . . . 75.43 109.124 -172.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.501 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 5.3 p-10 -131.25 142.8 50.2 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.19 -0.67 . . . . 74.11 109.19 175.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.9 tp -159.47 140.71 12.8 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.611 0.764 . . . . 74.52 109.197 -173.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.94 -111.71 4.41 Favored Glycine 0 C--N 1.349 1.297 0 C-N-CA 121.659 -0.305 . . . . 75.55 112.616 172.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -97.42 -21.22 17.29 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.279 0.632 . . . . 73.21 112.299 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m -135.84 150.41 49.4 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 114.155 1.169 . . . . 73.13 114.155 -163.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 26.8 t60 -86.15 130.76 34.42 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.606 -1.179 . . . . 72.13 108.066 165.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -136.59 162.04 34.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.197 0.599 . . . . 74.35 110.238 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.575 HG22 HG12 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -125.01 120.08 30.54 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 106.263 -1.754 . . . . 73.3 106.263 -177.625 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.637 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 10.3 tp -116.58 136.83 52.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.545 0.738 . . . . 75.23 109.36 -163.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.1 m -88.48 125.03 34.56 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 120.824 0.345 . . . . 71.33 110.994 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -104.02 126.4 51.11 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 124.462 1.105 . . . . 53.32 109.006 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.584 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 40.1 m-85 -106.09 162.63 13.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.377 0.608 . . . . 63.24 111.241 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -96.45 133.54 40.74 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.249 1.419 . . . . 75.43 107.749 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.618 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 40.4 t -105.05 123.5 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.089 -1.078 . . . . 75.33 108.089 165.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.54 116.18 1.8 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.311 1.045 . . . . 73.33 111.84 176.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.63 -18.52 54.99 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 115.397 -0.82 . . . . 72.31 112.962 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.618 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 12.5 tp10 -97.06 126.42 42.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.757 0.823 . . . . 64.54 109.676 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.6 m -76.16 -22.77 55.01 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.403 1.081 . . . . 74.22 111.646 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.9 m -88.9 136.75 32.85 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.273 0.629 . . . . 75.03 109.435 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 38.0 mt -80.58 142.29 34.22 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.987 0.915 . . . . 72.45 109.634 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.35 108.01 19.51 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.574 -1.269 . . . . 72.31 107.574 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.2 t -101.11 102.69 21.41 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 109.108 -0.701 . . . . 75.32 109.108 175.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.524 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 28.4 Cg_endo -85.16 120.93 2.27 Favored 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.899 2.399 . . . . 75.15 109.592 169.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -147.51 166.51 27.07 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.917 0.389 . . . . 73.54 111.127 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.5 p -129.15 165.94 20.31 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.11 0.964 . . . . 74.41 108.808 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.432 ' H ' ' HG1' ' A' ' 122' ' ' THR . 7.6 p-10 -158.27 -165.77 1.78 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.022 0.929 . . . . 73.23 109.411 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.72 -26.24 59.67 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.804 0.668 . . . . 74.01 112.804 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.519 ' HB ' ' NH2' ' A' ' 132' ' ' ARG . 4.5 m -80.0 -29.26 39.4 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.81 0.444 . . . . 63.53 110.935 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 35.6 p -75.96 -38.6 57.36 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.613 0.365 . . . . 74.44 110.077 172.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -59.76 -34.23 72.71 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.353 0.661 . . . . 74.41 110.979 170.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -75.41 -12.8 60.33 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.408 1.083 . . . . 73.13 110.97 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.84 -6.73 58.02 Favored Glycine 0 C--N 1.35 1.316 0 N-CA-C 115.958 1.143 . . . . 75.24 115.958 174.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -92.54 1.71 57.1 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 118.2 1.0 . . . . 73.31 112.273 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.2 p -127.11 164.38 21.73 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 106.687 -1.597 . . . . 73.42 106.687 155.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 130' ' ' HIS . 19.1 t80 -53.83 98.94 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.323 1.015 . . . . 75.21 111.429 -168.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 0.0 OUTLIER -62.22 -31.05 71.54 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.955 1.302 . . . . 71.11 112.425 -168.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 128' ' ' TYR . 53.3 m80 -75.72 -12.38 60.18 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 116.519 -0.31 . . . . 71.1 110.833 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 142.09 152.39 5.7 Favored Glycine 0 C--N 1.356 1.686 0 C-N-CA 122.749 0.214 . . . . 55.31 113.187 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.524 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 56.4 mtt180 -108.46 144.58 35.89 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.795 0.838 . . . . 75.2 108.761 175.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -96.15 140.4 30.92 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.442 -0.577 . . . . 61.21 109.442 166.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.1 tt -123.23 131.73 53.78 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.874 -1.158 . . . . 75.0 107.874 171.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -94.02 100.11 12.3 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.261 -1.014 . . . . 73.13 108.261 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 56.6 t -107.34 122.65 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 122.933 0.493 . . . . 61.33 109.781 -173.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.94 118.89 74.33 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 109.262 -0.644 . . . . 72.55 109.262 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -67.9 -32.87 28.02 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.379 2.053 . . . . 73.11 112.09 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 54.05 33.47 17.71 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.344 1.058 . . . . 72.25 112.106 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.39 39.58 52.32 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 115.44 -0.8 . . . . 71.54 114.76 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.08 167.63 21.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.796 0.438 . . . . 75.21 111.416 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.87 173.35 11.63 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.762 -0.829 . . . . 75.25 108.762 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -55.93 109.59 1.53 Allowed Glycine 0 C--N 1.352 1.432 0 O-C-N 123.685 0.616 . . . . 61.01 113.457 -175.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.84 -5.45 27.52 Favored Glycine 0 N--CA 1.471 1.008 0 CA-C-O 119.557 -0.579 . . . . 63.35 113.779 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -87.37 -171.44 3.47 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.946 -0.761 . . . . 75.41 108.946 171.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -142.85 158.23 43.83 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.23 0.538 . . . . 64.11 111.928 173.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.3 m -139.69 154.09 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.773 1.229 . . . . 73.22 108.536 176.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.428 ' H ' HG22 ' A' ' 8' ' ' VAL . . . -79.06 118.93 21.5 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.573 0.225 . . . . 73.31 110.722 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.7 mt -93.5 86.63 5.28 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 108.002 -1.11 . . . . 70.5 108.002 167.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.551 ' HB3' ' HG3' ' A' ' 59' ' ' ARG . 0.6 OUTLIER -84.91 95.95 9.19 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.059 -0.973 . . . . 53.25 108.89 173.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.544 ' HB3' HG21 ' A' ' 180' ' ' ILE . 22.4 m-85 -69.65 -15.91 63.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.346 1.058 . . . . 73.21 111.826 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -56.62 -27.11 57.56 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.25 0.62 . . . . 73.32 110.138 169.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.522 HD12 HG12 ' A' ' 19' ' ' ILE . 2.9 mm? -101.41 17.95 21.36 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.47 1.108 . . . . 75.41 111.815 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -73.28 104.98 4.49 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.727 -1.212 . . . . 60.44 107.727 165.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -98.93 176.13 5.7 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 122.287 1.041 . . . . 73.53 110.928 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -113.24 139.26 22.91 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 113.731 -1.577 . . . . 73.11 109.281 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.58 150.24 4.1 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.934 2.423 . . . . 74.11 113.173 168.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -66.76 -4.32 8.78 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.517 0.727 . . . . 75.02 112.893 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 163' ' ' GLY . 11.3 m -65.74 -29.14 69.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.989 0.916 . . . . 74.14 111.857 172.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.87 -21.85 66.49 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.875 0.87 . . . . 73.14 112.063 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . 0.42 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 3.2 m-85 -84.21 -1.84 55.85 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.328 1.051 . . . . 75.04 110.835 -175.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.77 12.53 37.25 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 123.731 0.644 . . . . 64.44 112.734 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -100.11 159.97 19.37 Favored Glycine 0 C--N 1.351 1.393 0 N-CA-C 111.993 -0.443 . . . . 72.11 111.993 176.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 46.8 m -101.39 84.89 2.68 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.781 0.432 . . . . 74.22 110.429 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -113.52 178.32 4.32 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.4 0.68 . . . . 75.54 111.329 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 53.2 p -91.05 105.99 18.21 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.365 0.666 . . . . 75.3 110.931 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . 0.441 ' SG ' HG21 ' A' ' 78' ' ' THR . 24.4 p -93.42 116.07 28.61 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.823 -1.177 . . . . 63.51 107.823 174.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -71.54 93.56 1.22 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.5 -0.555 . . . . 71.41 109.5 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 42.6 mt -65.42 110.27 4.15 Favored Pre-proline 0 C--O 1.242 0.67 0 C-N-CA 123.767 0.827 . . . . 72.21 108.802 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -74.65 161.25 39.93 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 122.257 1.971 . . . . 72.31 112.205 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.39 155.48 61.9 Favored 'Trans proline' 0 C--N 1.371 1.721 0 C-N-CA 122.159 1.906 . . . . 74.54 110.806 168.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.39 -15.25 47.79 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.761 0.824 . . . . 75.13 113.11 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.05 -15.17 62.02 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.126 0.97 . . . . 73.44 111.2 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -94.18 18.44 10.87 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.136 0.974 . . . . 73.4 111.361 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -94.85 123.26 38.21 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.589 -0.523 . . . . 74.15 109.589 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 58.5 t -94.67 129.03 37.55 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 123.5 0.72 . . . . 64.31 109.136 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -74.25 56.09 3.71 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 124.023 3.149 . . . . 73.25 112.643 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.7 152.97 32.34 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.058 0.943 . . . . 72.54 109.222 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.06 122.01 33.34 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.02 -0.733 . . . . 72.45 109.02 170.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . 0.544 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -106.21 88.95 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 106.981 -1.489 . . . . 72.11 106.981 175.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 16.9 p -71.23 -26.14 62.79 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.356 -0.838 . . . . 73.43 112.522 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -90.11 124.54 34.89 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.302 0.572 . . . . 71.14 110.312 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 175.06 -154.83 19.26 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 107.963 -2.055 . . . . 51.21 107.963 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.461 ' HG3' ' HB2' ' A' ' 50' ' ' ARG . 16.6 tt0 -99.38 126.43 45.27 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 107.686 -1.228 . . . . 71.22 107.686 155.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -76.96 151.32 35.73 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-O 121.715 0.769 . . . . 75.15 110.169 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.473 HG22 ' HB2' ' A' ' 128' ' ' TYR . 15.7 t -138.97 176.04 6.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 105.979 -1.86 . . . . 74.55 105.979 -175.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . 0.546 ' HB2' HD22 ' A' ' 190' ' ' LEU . 15.8 m-20 -146.51 139.75 25.68 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.773 -0.579 . . . . 72.4 109.463 171.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -45.63 -23.58 0.26 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 124.532 1.145 . . . . 74.52 113.341 163.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.59 -53.41 56.63 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.486 1.114 . . . . 74.04 110.546 170.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 187' ' ' ASP . 3.9 mm? -75.77 -65.66 0.88 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.979 0.912 . . . . 73.53 111.292 -177.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 CA--C 1.563 1.457 0 C-N-CA 124.747 1.219 . . . . 75.02 112.541 -173.147 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptp . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 121.089 0.471 . . . . 62.2 110.424 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 t -57.35 -44.54 99.68 Favored Pre-proline 0 CA--C 1.567 1.622 0 CA-C-O 118.943 -0.551 . . . . 73.12 110.886 176.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -98.7 173.88 0.48 Allowed 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 122.556 2.171 . . . . 65.32 111.452 158.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.0 tt -69.39 141.63 91.24 Favored Pre-proline 0 CA--C 1.566 1.595 0 N-CA-C 107.582 -1.266 . . . . 74.33 107.582 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 19.1 Cg_endo -65.05 125.42 14.63 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 121.366 1.378 . . . . 52.21 111.813 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 171.12 -49.41 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 125.637 1.575 . . . . 75.24 108.485 -169.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.24 21.16 0.62 Allowed 'Trans proline' 0 C--N 1.397 3.126 0 C-N-CA 122.803 2.335 . . . . 74.02 112.613 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.1 m -65.86 -27.31 40.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.451 1.1 . . . . 73.22 109.278 172.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 t -80.57 83.0 6.45 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 115.508 -0.769 . . . . 74.33 109.165 166.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -37.65 153.51 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 125.272 1.429 . . . . 42.11 113.427 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -54.64 139.42 38.67 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.729 0.812 . . . . 73.44 110.37 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -37.73 -47.53 0.99 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.432 1.641 . . . . 70.41 115.432 -165.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.87 -52.51 59.69 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.278 0.631 . . . . 72.35 111.411 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -74.46 -25.0 59.13 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.141 0.576 . . . . 53.14 111.242 -176.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.456 ' O ' HG13 ' A' ' 19' ' ' ILE . 21.0 t90 -64.35 -54.82 27.06 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.799 1.239 . . . . 74.15 109.388 173.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -55.61 -38.56 69.61 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 115.027 -0.988 . . . . 72.31 109.841 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.75 97.42 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.847 -0.597 . . . . 74.54 112.14 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 26.4 mmt180 -59.87 -48.75 80.43 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.639 0.375 . . . . 75.03 110.073 175.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 15' ' ' TRP . 23.7 mt -62.7 -43.53 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 115.64 -0.709 . . . . 74.31 110.643 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.24 89.76 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 114.76 -1.109 . . . . 61.43 110.571 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.96 73.76 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.498 0.719 . . . . 71.0 111.448 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -59.43 -53.62 56.12 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.915 0.886 . . . . 74.21 109.819 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -65.03 -41.57 95.14 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-N 114.834 -1.075 . . . . 73.14 111.111 -178.45 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.97 91.9 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.349 0.522 . . . . 53.53 111.402 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.72 -48.73 80.47 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.802 0.689 . . . . 74.42 110.557 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 40.2 mmtm -72.94 -20.59 61.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.562 -0.29 . . . . 74.15 111.408 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' HA ' HD21 ' A' ' 49' ' ' LEU . 8.1 t70 -70.84 -45.14 65.07 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.547 -0.908 . . . . 62.25 108.547 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.61 -18.55 47.85 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.448 -0.796 . . . . 72.54 111.7 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 37.7 t80 -60.56 -67.37 0.4 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.895 0.478 . . . . 74.13 110.867 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.516 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.17 -3.99 23.06 Favored 'General case' 0 CA--C 1.565 1.558 0 N-CA-C 113.264 0.838 . . . . 74.41 113.264 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.45 -47.63 5.6 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.68 0.792 . . . . 72.45 112.302 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 t -138.04 45.9 2.09 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-O 122.553 1.168 . . . . 64.01 110.669 -173.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 80.6 m80 -149.07 134.71 18.69 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 113.947 -1.479 . . . . 74.43 109.661 173.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.05 -36.2 72.43 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.331 1.452 . . . . 75.11 111.881 -175.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -61.6 -25.58 67.43 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.904 1.076 . . . . 72.14 113.904 -167.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.476 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 59.5 m -144.74 106.33 4.61 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 107.217 -1.401 . . . . 71.04 107.217 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -90.87 124.61 0.97 Allowed 'Trans proline' 0 CA--C 1.551 1.357 0 C-N-CA 122.192 1.928 . . . . 71.31 112.797 173.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.516 HG13 ' HB2' ' A' ' 30' ' ' LEU . 40.4 mt -71.33 130.81 87.26 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 107.684 -1.228 . . . . 74.32 107.684 162.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -44.5 131.24 9.52 Favored 'Trans proline' 0 C--N 1.385 2.493 0 C-N-CA 123.52 2.813 . . . . 74.41 113.104 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -53.02 -26.84 33.68 Favored 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 124.083 3.189 . . . . 75.13 115.393 -167.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.62 94.24 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.415 0.286 . . . . 73.2 111.545 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -83.46 -41.7 17.75 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.391 0.676 . . . . 63.33 110.785 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -62.83 -30.6 71.61 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.55 0.74 . . . . 75.42 111.473 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.16 -40.92 99.7 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 116.03 -0.532 . . . . 74.34 112.334 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.12 30.25 3.53 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.231 1.012 . . . . 73.3 111.095 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -74.36 117.15 15.85 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 120.952 0.406 . . . . 74.51 110.773 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -102.52 -37.21 8.09 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 108.617 -0.883 . . . . 71.21 108.617 169.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.33 175.54 33.46 Favored Glycine 0 C--O 1.241 0.584 0 CA-C-N 114.172 -1.376 . . . . 72.45 110.209 -174.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.467 HD23 HD21 ' A' ' 30' ' ' LEU . 4.0 mm? -83.29 -168.03 1.93 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.38 -0.6 . . . . 71.34 109.38 167.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.21 177.47 4.62 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.902 -0.777 . . . . 72.22 108.902 -172.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.588 ' HA ' ' HA ' ' A' ' 184' ' ' GLU . 44.3 p90 -158.71 146.46 17.95 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.434 0.459 . . . . 75.41 111.747 176.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -88.05 167.77 13.39 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 108.251 -1.018 . . . . 75.12 108.251 159.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -76.0 145.03 40.55 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 109.201 -0.666 . . . . 73.11 109.201 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.5 mm -72.39 113.63 9.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 123.25 0.62 . . . . 74.45 109.402 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -123.8 123.04 39.61 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.34 0.656 . . . . 71.35 110.585 -169.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.79 -11.35 59.62 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.464 1.106 . . . . 73.1 113.697 -175.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -79.04 -29.61 43.62 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 118.547 0.612 . . . . 74.4 109.591 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.529 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 62.0 m-85 -76.36 0.61 18.9 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.985 0.514 . . . . 75.43 111.283 171.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.536 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 53.1 ttp85 -102.94 87.37 2.91 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.392 -0.966 . . . . 73.05 108.392 175.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.6 m -99.63 156.34 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 115.894 -0.594 . . . . 74.12 110.048 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.87 138.78 33.78 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.446 -0.946 . . . . 71.41 108.446 175.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' ' 91' ' ' LEU . . . -129.59 140.34 51.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 122.95 0.5 . . . . 74.23 109.825 175.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -72.98 117.82 15.17 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 107.595 -1.261 . . . . 70.32 107.595 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -80.3 110.86 16.14 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 124.215 0.947 . . . . 72.11 108.804 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -110.88 101.69 50.41 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 108.286 -1.005 . . . . 72.33 108.286 169.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.78 153.11 76.63 Favored 'Trans proline' 0 C--N 1.365 1.441 0 C-N-CA 122.683 2.255 . . . . 74.15 111.079 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.86 98.56 1.59 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.374 -0.973 . . . . 74.12 108.374 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -57.95 -29.47 65.21 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.31 1.044 . . . . 75.12 111.029 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -144.82 91.71 6.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 124.418 1.087 . . . . 73.13 108.099 171.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.514 ' HB3' ' O ' ' A' ' 87' ' ' ARG . 5.5 Cg_exo -75.66 150.89 36.0 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.43 2.753 . . . . 70.44 112.392 -175.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.22 166.64 26.41 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.798 0.839 . . . . 73.22 110.146 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.2 135.18 34.46 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 123.401 0.68 . . . . 75.05 109.318 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 35.1 m -128.08 154.98 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.789 1.236 . . . . 75.24 108.676 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -105.61 106.15 16.52 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.23 -0.656 . . . . 74.13 109.23 -173.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -91.19 134.8 34.25 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 107.813 -1.181 . . . . 73.44 107.813 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.75 153.88 35.03 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.788 0.435 . . . . 64.24 110.032 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.4 p -136.41 167.7 20.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.251 0.621 . . . . 75.35 110.464 -177.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.6 p -98.63 -31.38 11.96 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.499 1.12 . . . . 73.14 110.94 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -72.57 -32.82 66.34 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.21 0.604 . . . . 71.33 112.537 -176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.49 -120.75 0.98 Allowed Glycine 0 C--N 1.346 1.112 0 CA-C-O 118.451 -1.194 . . . . 70.11 112.397 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -56.79 137.95 83.49 Favored 'Trans proline' 0 C--N 1.384 2.447 0 C-N-CA 123.829 3.02 . . . . 74.33 112.784 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -64.14 145.08 88.68 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 123.026 2.484 . . . . 73.24 112.822 -173.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.26 111.84 19.75 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.77 0.828 . . . . 72.11 109.646 -175.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 38.5 mt-10 -88.59 118.04 27.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.283 0.633 . . . . 75.24 110.266 -178.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.44 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 63.5 m-85 -126.99 147.87 50.11 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.08 0.952 . . . . 74.02 109.269 -176.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.4 m -86.29 135.85 33.39 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 109.072 -0.714 . . . . 75.1 109.072 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.514 ' O ' ' HB3' ' A' ' 70' ' ' PRO . 15.5 mtm180 -74.78 115.37 14.29 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.721 -0.474 . . . . 74.24 109.721 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -83.19 -46.51 12.63 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.297 0.639 . . . . 72.03 111.378 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -159.87 175.13 13.44 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.433 -0.803 . . . . 73.03 110.562 -173.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.0 t -136.19 118.38 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 N-CA-C 107.023 -1.473 . . . . 74.45 107.023 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . 2.5 mm? -101.12 134.58 43.92 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.268 0.627 . . . . 73.21 111.059 -177.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.31 114.94 3.1 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.857 -0.497 . . . . 63.02 111.857 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.533 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 19.7 p90 -134.43 150.93 50.9 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.185 0.594 . . . . 62.31 109.458 -170.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.523 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 9.3 p-10 -109.98 112.07 23.85 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.32 -0.992 . . . . 75.04 108.32 169.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tt -92.86 86.18 5.4 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 107.853 -1.166 . . . . 74.53 107.853 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.03 -73.74 2.53 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-N 113.547 -1.661 . . . . 74.53 111.455 164.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -117.47 -24.5 7.32 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.642 0.777 . . . . 63.31 111.197 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.9 m -107.17 123.15 47.85 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.349 0.26 . . . . 61.31 110.756 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 47.1 p-80 -94.89 111.31 23.11 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 108.338 -0.986 . . . . 73.23 108.338 174.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -127.16 156.72 41.35 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 123.983 0.913 . . . . 74.35 109.292 -172.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.8 m -117.41 145.43 44.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 107.909 -1.145 . . . . 74.34 107.909 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.533 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 9.3 tp -139.53 118.8 12.78 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.023 -0.732 . . . . 74.34 109.023 -167.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.9 m -83.97 126.4 32.98 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 122.703 0.401 . . . . 73.21 110.463 -172.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.412 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -105.02 127.5 52.89 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.185 0.994 . . . . 74.11 109.823 -178.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.44 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 50.5 m-85 -99.73 174.04 6.41 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.511 0.724 . . . . 73.14 110.522 177.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 37.3 ttm180 -119.84 121.95 40.24 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.176 0.991 . . . . 75.53 108.942 -173.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.42 HG23 ' HB2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -115.6 131.27 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.042 0.937 . . . . 71.43 109.853 176.511 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -85.09 159.71 20.12 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.47 1.108 . . . . 65.22 110.79 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.47 -43.02 1.06 Allowed Glycine 0 N--CA 1.483 1.804 0 CA-C-N 115.426 -0.807 . . . . 70.23 112.45 -168.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' A' ' 112' ' ' SER . 12.5 tp10 -77.28 160.06 29.14 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.299 1.44 . . . . 75.02 107.951 161.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.8 m -116.96 -11.43 10.8 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.289 0.635 . . . . 64.44 109.697 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.408 ' H ' ' HG3' ' A' ' 110' ' ' GLU . 37.8 m -89.62 172.63 8.81 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.065 0.946 . . . . 73.42 110.895 -176.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.411 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 21.0 mt -96.4 130.63 43.49 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 107.719 -1.215 . . . . 75.44 107.719 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.42 ' HB2' HG23 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -93.1 102.2 14.51 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.128 -1.064 . . . . 74.24 108.128 -173.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 104' ' ' ALA . 12.6 t -111.68 94.92 25.5 Favored Pre-proline 0 N--CA 1.469 0.511 0 C-N-CA 123.043 0.537 . . . . 64.34 109.578 -175.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -76.81 115.81 4.12 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.094 1.863 . . . . 74.42 110.002 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -128.05 160.27 32.48 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 121.901 0.858 . . . . 75.11 111.03 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.632 HG22 ' HG2' ' A' ' 170' ' ' PRO . 11.0 p -127.75 163.18 24.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 113.738 -1.573 . . . . 73.44 107.872 172.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 4.4 p30 -161.14 -160.22 0.72 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.551 0.532 . . . . 74.44 109.971 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.89 -35.2 78.07 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.609 0.596 . . . . 75.25 112.609 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.0 p -74.56 -12.78 60.55 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 113.065 0.765 . . . . 65.5 113.065 -171.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 69.9 p -65.7 -40.91 92.77 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 109.538 -0.542 . . . . 71.45 109.538 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -73.06 -24.1 60.64 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 114.49 -1.232 . . . . 74.23 112.261 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -92.01 -20.4 21.37 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.828 -0.434 . . . . 73.35 109.828 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.48 28.13 66.27 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-N 115.932 -0.577 . . . . 62.43 114.525 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -88.3 -20.96 24.72 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.673 0.749 . . . . 74.53 109.697 171.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.469 ' HA ' ' HB ' ' A' ' 186' ' ' VAL . 23.3 p -125.45 -177.52 3.92 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.861 1.264 . . . . 75.15 108.71 169.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -57.12 113.41 1.7 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.69 0.796 . . . . 74.13 112.867 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -57.79 -39.08 76.69 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.18 0.992 . . . . 73.32 111.088 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -70.35 -10.58 59.42 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.435 0.694 . . . . 70.24 111.698 -175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.07 174.04 26.44 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 110.47 -1.052 . . . . 71.3 110.47 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.56 157.7 44.44 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.034 -0.728 . . . . 74.33 109.034 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.551 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 91.9 m-85 -92.55 176.13 6.57 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.442 -0.577 . . . . 74.34 109.442 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.3 tt -146.7 132.92 19.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.388 -1.708 . . . . 75.03 106.388 167.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.85 110.42 22.78 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 107.482 -1.303 . . . . 74.11 107.482 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.38 126.68 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.878 0.471 . . . . 72.53 110.21 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -87.61 116.42 66.07 Favored Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 108.373 -0.973 . . . . 71.45 108.373 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -69.72 -28.28 25.63 Favored 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.224 1.949 . . . . 71.12 112.577 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.15 29.49 4.83 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.436 1.094 . . . . 63.22 112.149 -170.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 48.82 57.49 8.56 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.664 -0.698 . . . . 60.23 114.362 -166.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.01 168.92 19.15 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.478 0.311 . . . . 75.41 110.616 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -134.78 177.01 8.13 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.146 0.578 . . . . 74.24 109.652 -173.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.03 104.8 0.64 Allowed Glycine 0 C--N 1.355 1.63 0 C-N-CA 123.757 0.694 . . . . 44.34 113.528 -173.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.14 8.27 50.83 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 113.801 0.28 . . . . 65.13 113.801 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 5' ' ' PRO . 11.6 m-20 -80.98 -170.99 2.97 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.808 -0.812 . . . . 72.52 108.808 166.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -140.46 153.44 46.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.709 0.766 . . . . 74.32 111.919 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 24.4 m -134.56 161.5 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.288 1.435 . . . . 72.55 108.834 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.96 111.84 19.62 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.887 0.475 . . . . 73.41 109.984 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.97 90.46 7.89 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.379 -1.341 . . . . 74.11 107.379 168.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 51.7 t0 -101.33 119.61 39.01 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 114.613 -1.176 . . . . 71.23 109.643 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.529 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 48.5 m-85 -80.05 -16.46 55.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.064 -0.971 . . . . 74.23 112.528 -174.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . 0.43 HD21 HD21 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -80.2 -4.55 53.53 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 119.704 1.138 . . . . 74.33 111.179 173.255 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.43 HD21 HD21 ' A' ' 152' ' ' ASN . 3.8 mm? -92.14 8.95 35.65 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.311 0.644 . . . . 72.32 110.914 165.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.05 127.46 21.55 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 122.936 0.494 . . . . 73.13 110.889 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.551 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 83.6 t80 -99.51 153.53 18.96 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 124.282 1.033 . . . . 74.23 109.665 -170.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -96.61 123.6 53.58 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.835 1.254 . . . . 75.11 111.862 -166.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . 0.533 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 61.5 Cg_endo -75.35 126.55 9.82 Favored 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 122.022 1.814 . . . . 74.51 110.94 166.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -67.85 -22.1 65.15 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.254 0.622 . . . . 75.35 111.752 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 157' ' ' PRO . 25.6 p -57.72 -37.64 73.89 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.089 0.956 . . . . 74.2 111.415 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.29 -10.62 59.55 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.344 0.658 . . . . 74.11 111.643 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -94.04 -12.18 29.12 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.636 0.774 . . . . 65.43 110.26 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 107.15 -25.99 20.29 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 119.876 -0.402 . . . . 72.52 112.459 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -60.73 113.75 5.88 Favored Glycine 0 C--N 1.358 1.781 0 N-CA-C 110.583 -1.007 . . . . 63.15 110.583 172.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.8 m -71.41 89.81 0.94 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.428 0.691 . . . . 62.33 111.49 -167.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -124.59 148.78 47.64 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.124 0.969 . . . . 75.31 111.352 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 36.2 p -73.08 121.51 20.3 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.403 -0.817 . . . . 70.53 109.556 173.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.16 126.39 52.73 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 108.134 -1.061 . . . . 74.1 108.134 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -69.99 97.66 1.18 Allowed 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.852 0.72 . . . . 75.35 109.26 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 92.8 mt -58.64 113.6 7.04 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.05 0.94 . . . . 75.15 109.6 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.632 ' HG2' HG22 ' A' ' 118' ' ' THR . 26.3 Cg_exo -66.39 132.44 29.36 Favored 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 122.627 2.218 . . . . 74.42 112.104 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -67.74 173.78 8.55 Favored 'Trans proline' 0 C--N 1.372 1.811 0 C-N-CA 122.499 2.132 . . . . 75.42 111.867 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -59.77 -28.88 67.79 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.465 0.706 . . . . 61.24 111.694 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.61 -23.15 62.51 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.719 0.808 . . . . 62.33 111.349 177.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.447 ' HA ' HD13 ' A' ' 102' ' ' LEU . 4.5 m-20 -103.86 18.92 20.96 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.828 0.451 . . . . 72.32 111.214 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -100.39 109.14 21.29 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.751 -0.463 . . . . 74.21 109.751 172.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 26.2 t -77.02 131.39 73.07 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.011 0.924 . . . . 74.42 109.442 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -80.67 41.98 1.25 Allowed 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 123.149 2.566 . . . . 74.12 112.894 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -143.54 158.53 43.58 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.636 0.775 . . . . 71.44 110.144 -175.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -86.96 106.45 17.81 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.271 0.628 . . . . 74.32 110.147 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.0 mp -96.43 91.8 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 N-CA-C 108.361 -0.977 . . . . 71.04 108.361 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 55.0 p -96.18 65.34 2.4 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.746 0.784 . . . . 74.32 109.451 171.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -151.34 121.25 7.1 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.354 -0.98 . . . . 74.13 108.354 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 171.19 -156.14 25.8 Favored Glycine 0 C--O 1.241 0.58 0 N-CA-C 109.099 -1.6 . . . . 71.24 109.099 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.588 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -84.12 144.01 29.31 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 106.43 -1.693 . . . . 74.31 106.43 154.68 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -76.43 135.25 39.43 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 108.211 -1.033 . . . . 75.32 108.211 -173.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.469 ' HB ' ' HA ' ' A' ' 127' ' ' THR . 51.4 t -107.32 139.55 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.807 -0.558 . . . . 63.3 110.224 -172.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -70.5 111.87 6.35 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 123.269 0.628 . . . . 72.4 109.949 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -67.35 -0.82 3.91 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.35 1.06 . . . . 62.14 112.365 171.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -71.56 -52.21 19.38 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.754 1.221 . . . . 71.4 110.346 168.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.44 -46.28 17.82 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.358 0.663 . . . . 72.25 110.484 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 108.877 -0.786 . . . . 71.3 108.877 175.609 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.653 ' SD ' ' HA3' ' A' ' 140' ' ' GLY . 52.2 ttp . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 110.056 -0.35 . . . . 71.2 110.056 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -159.34 -51.05 0.01 OUTLIER Pre-proline 0 CA--C 1.56 1.34 0 C-N-CA 123.864 0.866 . . . . 74.34 109.362 170.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -87.73 -177.08 1.89 Allowed 'Trans proline' 0 C--N 1.39 2.75 0 C-N-CA 122.375 2.05 . . . . 74.35 110.538 160.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mt -57.69 132.36 82.51 Favored Pre-proline 0 CA--C 1.553 1.064 0 O-C-N 123.603 0.564 . . . . 75.32 110.442 171.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.97 126.59 18.35 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.552 2.168 . . . . 73.53 111.497 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.7 mt -175.15 -53.23 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 125.923 1.689 . . . . 75.03 108.017 -167.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -85.27 27.33 0.61 Allowed 'Trans proline' 0 C--N 1.4 3.274 0 C-N-CA 122.032 1.821 . . . . 64.11 111.956 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.66 -12.56 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.255 1.022 . . . . 62.35 111.896 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -71.79 -37.13 70.48 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 119.176 -0.44 . . . . 73.14 110.89 171.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.2 t0 86.08 154.3 0.08 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.761 1.225 . . . . 75.14 109.27 171.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -48.14 120.73 3.73 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.557 0.743 . . . . 75.01 110.947 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.08 -29.5 30.74 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 115.243 1.572 . . . . 55.31 115.243 -157.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -69.94 -45.12 68.15 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 123.084 0.554 . . . . 74.13 110.017 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -69.26 -36.28 76.96 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.529 -0.759 . . . . 55.33 110.857 176.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -60.23 -46.48 89.64 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.607 1.163 . . . . 72.43 110.371 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -58.96 -41.57 87.82 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.737 -1.119 . . . . 72.14 109.766 175.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.06 97.41 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 118.734 -0.651 . . . . 75.41 112.322 173.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 24.3 mmt180 -59.69 -48.26 82.38 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 118.399 0.545 . . . . 74.01 109.621 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.537 HG23 HD13 ' A' ' 153' ' ' LEU . 72.4 mt -63.85 -45.63 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 115.062 -0.972 . . . . 72.21 111.384 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.42 99.09 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.329 0.652 . . . . 74.31 111.029 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.17 77.46 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.615 0.766 . . . . 70.14 111.463 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -67.01 -41.88 85.91 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.616 0.766 . . . . 74.51 109.97 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -63.17 -47.36 82.97 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 115.257 -0.883 . . . . 75.15 109.954 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.68 79.32 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.572 0.749 . . . . 65.24 111.22 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.99 -59.23 5.75 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.029 0.932 . . . . 72.44 110.869 172.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -64.46 -18.06 64.41 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.293 0.637 . . . . 75.2 112.322 -179.392 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.442 ' HA ' HD23 ' A' ' 49' ' ' LEU . 16.6 t70 -78.39 -53.44 7.27 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.84 1.256 . . . . 75.33 109.708 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.23 -17.44 59.5 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.014 -0.539 . . . . 74.13 111.352 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -48.52 -69.45 0.12 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.329 1.052 . . . . 73.15 111.724 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.492 HD21 HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -59.99 -25.33 65.18 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.265 0.468 . . . . 71.11 112.265 -172.637 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.58 -54.1 6.8 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.118 0.567 . . . . 70.03 111.575 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p -88.64 -56.3 3.36 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.102 0.561 . . . . 71.33 111.393 -171.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -47.42 102.6 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.275 1.43 . . . . 74.51 111.92 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.39 -19.08 63.82 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.286 1.034 . . . . 73.45 112.536 -172.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -81.16 -5.88 58.21 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.499 0.72 . . . . 73.22 111.919 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.6 m -154.55 67.42 5.48 Favored Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 124.663 1.185 . . . . 44.44 108.118 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -85.65 137.66 5.84 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.327 2.018 . . . . 71.41 112.476 -174.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.5 tt -77.93 134.0 64.9 Favored Pre-proline 0 CA--C 1.554 1.107 0 N-CA-C 107.988 -1.116 . . . . 74.54 107.988 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -31.83 132.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.394 2.934 0 C-N-CA 124.853 3.702 . . . . 75.53 114.676 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -52.84 -24.09 22.84 Favored 'Trans proline' 0 C--N 1.384 2.445 0 C-N-CA 123.737 2.958 . . . . 71.25 114.15 -171.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.52 -49.38 66.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.208 0.603 . . . . 63.33 111.222 175.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -78.75 -34.92 45.33 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.649 0.78 . . . . 73.44 110.488 -177.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -57.79 -37.73 74.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.759 0.823 . . . . 74.12 110.846 170.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.01 -37.63 73.76 Favored Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.414 -0.812 . . . . 74.54 111.772 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.81 19.35 4.83 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.017 0.927 . . . . 73.24 112.146 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -73.12 103.54 3.9 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.233 0.54 . . . . 70.41 110.497 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -111.87 4.21 18.14 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.243 1.017 . . . . 60.24 108.951 171.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.86 147.13 12.16 Favored Glycine 0 C--N 1.342 0.882 0 N-CA-C 109.969 -1.252 . . . . 73.44 109.969 -167.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.492 HD22 HD21 ' A' ' 30' ' ' LEU . 2.5 mm? -80.43 169.74 17.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.405 0.682 . . . . 74.1 110.17 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' N ' ' HD2' ' A' ' 50' ' ' ARG . 3.4 mpt_? -91.81 141.89 28.17 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.527 -0.76 . . . . 74.33 109.518 -168.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 183' ' ' GLY . 24.7 p90 -162.59 168.77 21.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.441 0.696 . . . . 74.34 110.557 178.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -102.9 172.32 6.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.273 1.029 . . . . 75.3 109.391 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -74.31 160.65 30.8 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.865 0.466 . . . . 71.44 110.2 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.459 HD12 HG22 ' A' ' 19' ' ' ILE . 11.5 mm -71.48 116.07 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 123.536 0.522 . . . . 75.12 109.846 -174.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -112.17 115.39 28.76 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.274 0.63 . . . . 72.14 109.837 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.72 -17.21 61.64 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.444 0.697 . . . . 63.12 112.363 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.9 m -81.48 -16.73 51.02 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.439 0.296 . . . . 70.42 110.826 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.89 -9.8 59.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.703 0.401 . . . . 71.3 111.278 169.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.45 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 11.8 ttm180 -89.69 95.29 10.19 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.089 -1.078 . . . . 74.24 108.089 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.2 m -100.22 147.17 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.279 -0.637 . . . . 73.55 109.279 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.95 112.95 21.67 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.21 -1.033 . . . . 72.4 108.21 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 91' ' ' LEU . . . -105.93 129.43 54.08 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.138 -0.689 . . . . 63.52 109.138 -173.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.66 110.12 7.7 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 108.511 -0.922 . . . . 74.11 108.511 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.534 ' HH ' ' HB3' ' A' ' 138' ' ' PRO . 35.1 t80 -77.02 129.03 35.56 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 124.244 1.018 . . . . 73.44 109.643 -172.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.434 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 24.6 tt0 -133.03 103.55 12.88 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 123.752 0.821 . . . . 64.2 109.323 172.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.22 161.03 47.51 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.003 1.802 . . . . 74.22 111.782 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.04 113.1 14.39 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.253 -1.017 . . . . 62.33 108.253 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -68.82 -20.49 64.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.466 0.706 . . . . 75.44 110.983 -174.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.5 82.66 12.57 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 107.138 -1.43 . . . . 73.44 107.138 172.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.17 130.39 32.15 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.7 2.267 . . . . 70.31 112.3 -175.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -134.77 157.38 46.89 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.862 0.865 . . . . 74.42 110.725 -170.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.35 114.65 27.25 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.601 0.76 . . . . 64.22 111.231 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 19.6 m -107.07 168.44 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.573 1.149 . . . . 65.45 109.892 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -108.62 129.39 55.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.976 0.51 . . . . 74.34 110.218 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.0 139.73 49.97 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 108.093 -1.077 . . . . 74.41 108.093 171.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -66.37 150.23 49.2 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.538 -0.542 . . . . 72.42 109.538 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.1 p -125.56 153.92 42.97 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.638 -0.505 . . . . 74.44 109.638 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.537 HG23 HD12 ' A' ' 169' ' ' LEU . 22.9 p -74.28 -29.76 61.8 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.841 -0.618 . . . . 74.35 110.291 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -81.81 -24.2 36.05 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.006 0.743 . . . . 72.34 113.006 -172.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.45 -123.45 1.19 Allowed Glycine 0 C--N 1.356 1.642 0 CA-C-O 118.681 -1.066 . . . . 73.53 113.609 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.52 153.42 71.45 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 123.621 2.881 . . . . 63.44 113.428 -174.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.98 140.23 65.17 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.036 1.824 . . . . 65.32 111.886 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.97 129.33 45.27 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.136 0.974 . . . . 64.45 110.203 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 15.3 pt-20 -80.39 125.54 30.04 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 123.693 0.621 . . . . 74.31 110.495 177.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -128.94 142.82 50.81 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.518 -0.919 . . . . 74.44 108.518 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.8 m -85.44 139.63 31.37 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.401 -0.592 . . . . 74.33 109.401 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -75.53 116.69 16.52 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.482 -0.562 . . . . 72.42 109.482 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -86.14 -50.54 6.93 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.639 0.375 . . . . 74.01 110.875 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.53 173.55 16.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.607 0.718 . . . . 71.14 111.61 -173.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.9 t -134.48 119.08 28.48 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 125.305 1.442 . . . . 75.23 107.207 174.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . 3.0 mm? -99.07 118.35 35.62 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.788 0.835 . . . . 73.31 110.58 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.46 116.89 4.87 Favored Glycine 0 N--CA 1.471 0.983 0 N-CA-C 110.656 -0.978 . . . . 70.3 110.656 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.583 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 52.5 p90 -143.24 -175.38 4.51 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 117.61 0.705 . . . . 71.22 110.292 -169.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -139.18 137.71 36.28 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.333 0.587 . . . . 74.34 109.703 171.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.4 tp -139.13 136.41 35.12 Favored 'General case' 0 C--O 1.249 1.038 0 C-N-CA 124.692 1.197 . . . . 75.52 108.054 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.67 -107.69 1.97 Allowed Glycine 0 C--N 1.353 1.506 0 CA-C-O 120.989 0.216 . . . . 72.3 112.953 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -117.73 -5.41 11.11 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.195 0.998 . . . . 71.45 110.251 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.6 m -115.94 132.96 56.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.002 0.521 . . . . 73.42 111.298 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -86.85 124.33 32.96 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 106.845 -1.539 . . . . 74.43 106.845 167.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -138.92 153.6 48.26 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.081 0.467 . . . . 73.44 110.558 -171.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 m -118.07 148.37 42.35 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.184 0.994 . . . . 71.32 109.016 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.583 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 6.2 tp -141.63 131.91 25.01 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.186 -0.672 . . . . 71.51 109.186 -171.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 m -87.81 127.98 35.33 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.469 0.307 . . . . 75.12 110.769 -174.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.4 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -101.9 120.84 41.04 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.541 0.737 . . . . 72.43 109.423 174.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.58 171.95 8.22 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 122.965 0.506 . . . . 74.42 109.857 175.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.527 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 39.6 ttm180 -119.85 131.56 55.32 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.401 1.08 . . . . 71.15 108.91 -175.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.21 113.4 44.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 124.573 1.149 . . . . 74.22 107.979 170.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.19 132.04 52.41 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.185 0.994 . . . . 73.02 111.583 -172.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 88.34 -21.62 24.05 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-N 115.857 -0.61 . . . . 73.41 112.637 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -97.12 129.19 44.55 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.828 0.851 . . . . 73.42 109.202 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.0 t -67.94 -24.57 65.19 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.875 1.27 . . . . 62.21 112.618 -178.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.512 ' HB3' ' HB2' ' A' ' 135' ' ' ASP . 15.2 m -90.49 143.34 26.84 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.529 0.732 . . . . 73.12 111.17 -174.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 21.1 mt -83.81 137.68 33.59 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.167 0.987 . . . . 74.43 108.93 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.56 103.97 15.86 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.605 -0.887 . . . . 72.23 108.605 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 104' ' ' ALA . 24.2 t -108.8 100.37 39.02 Favored Pre-proline 0 C--O 1.244 0.788 0 C-N-CA 124.029 0.932 . . . . 74.34 108.566 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 90.2 Cg_endo -86.96 135.01 3.81 Favored 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 122.576 2.184 . . . . 72.4 110.814 169.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -151.02 167.98 26.0 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.381 0.61 . . . . 73.22 111.416 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.8 p -137.36 171.17 14.87 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 114.414 -1.266 . . . . 75.22 107.822 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -160.53 -168.35 2.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.811 0.844 . . . . 75.21 109.985 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -67.34 -33.98 76.38 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 119.636 -0.221 . . . . 74.43 111.583 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.5 m -71.52 -37.43 71.2 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.16 0.584 . . . . 71.13 111.19 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.486 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 27.6 p -73.98 -42.1 60.95 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.143 177.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.93 -26.84 67.78 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.654 0.782 . . . . 74.2 111.303 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -75.65 -4.99 43.26 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.174 0.99 . . . . 73.42 111.183 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.4 -26.72 6.13 Favored Glycine 0 C--N 1.35 1.338 0 N-CA-C 114.705 0.642 . . . . 74.42 114.705 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -68.3 -18.93 64.64 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 112.901 0.704 . . . . 73.42 112.901 -171.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.9 p -125.95 171.68 10.55 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.419 0.687 . . . . 75.11 109.252 164.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -69.64 99.54 1.32 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.815 0.846 . . . . 73.41 112.574 -162.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.486 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 10.1 pt-20 -58.93 -30.27 67.74 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.842 1.657 . . . . 74.41 113.27 -176.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -70.0 -16.87 63.24 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.369 0.668 . . . . 74.34 111.706 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 139.55 157.42 7.28 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-O 121.194 0.33 . . . . 74.11 113.022 170.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.444 HH21 ' HB2' ' A' ' 154' ' ' ALA . 20.2 mtp180 -115.06 143.22 45.53 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.259 1.424 . . . . 73.02 108.04 174.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -94.4 151.33 19.47 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.715 -0.476 . . . . 73.4 109.715 169.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.2 tt -148.65 125.2 11.03 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 106.665 -1.606 . . . . 73.14 106.665 170.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.512 ' HB2' ' HB3' ' A' ' 112' ' ' SER . 4.7 p-10 -96.66 131.38 43.38 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.25 -1.019 . . . . 70.53 108.25 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.55 122.99 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 108.871 -0.789 . . . . 73.0 108.871 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.89 122.73 78.2 Favored Pre-proline 0 C--O 1.241 0.606 0 N-CA-C 106.915 -1.513 . . . . 73.35 106.915 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.534 ' HB3' ' HH ' ' A' ' 64' ' ' TYR . 36.2 Cg_endo -62.34 -25.26 76.32 Favored 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 122.554 2.17 . . . . 75.53 113.364 -174.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 53.13 33.04 14.23 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 124.358 1.036 . . . . 75.15 112.3 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.653 ' HA3' ' SD ' ' A' ' 1' ' ' MET . . . 54.43 34.96 55.32 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 115.397 -0.819 . . . . 63.33 114.548 -173.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -74.3 158.75 33.46 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.045 0.45 . . . . 73.12 111.179 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -127.4 169.6 13.43 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.821 0.848 . . . . 73.22 108.859 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 65' ' ' GLN . . . -62.56 111.37 3.98 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 123.637 0.586 . . . . 64.35 111.766 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.46 -11.97 28.23 Favored Glycine 0 N--CA 1.471 1.017 0 CA-C-O 119.697 -0.502 . . . . 72.03 113.757 -176.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.2 -173.98 4.28 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 108.819 -0.808 . . . . 64.13 108.819 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -146.25 156.24 43.24 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.543 0.687 . . . . 60.52 111.477 174.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 28.6 m -134.08 166.6 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 114.7 -1.137 . . . . 73.12 109.748 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.41 110.87 20.01 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.931 0.493 . . . . 74.04 110.844 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.32 86.93 3.29 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 108.361 -0.977 . . . . 61.22 108.361 170.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 27.7 t70 -90.13 106.82 18.74 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.796 -0.816 . . . . 63.54 108.796 172.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.544 ' HB3' HG22 ' A' ' 180' ' ' ILE . 39.5 m-85 -73.32 -14.61 61.33 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.818 -1.083 . . . . 75.32 111.283 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.32 -21.41 61.99 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 123.333 0.653 . . . . 73.24 111.588 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.537 HD13 HG23 ' A' ' 19' ' ' ILE . 3.2 mm? -72.18 -26.75 62.19 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 118.84 -0.6 . . . . 75.12 111.533 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.444 ' HB2' HH21 ' A' ' 132' ' ' ARG . . . -45.61 118.31 1.74 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.46 1.104 . . . . 75.12 113.609 -164.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -100.93 165.81 11.15 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 125.239 1.415 . . . . 73.14 109.938 -170.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -102.69 126.36 33.05 Favored Pre-proline 0 CA--C 1.551 0.999 0 CA-C-N 114.499 -1.228 . . . . 71.12 108.536 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.38 142.65 68.81 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.818 2.345 . . . . 71.12 112.681 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.466 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 68.4 m-85 -74.35 -3.93 33.3 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 113.558 0.947 . . . . 75.05 113.558 -172.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 49.3 t -68.02 -26.25 65.79 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.403 0.681 . . . . 74.55 111.007 167.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -81.76 -18.86 42.73 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.892 0.477 . . . . 74.22 112.029 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 33.1 m-85 -85.88 -11.09 54.15 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.027 0.531 . . . . 74.25 111.521 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.12 -17.87 0.05 OUTLIER Glycine 0 C--N 1.35 1.338 0 N-CA-C 114.758 0.663 . . . . 73.45 114.758 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 96.55 42.91 3.29 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 111.13 -0.788 . . . . 71.01 111.13 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 51.1 m -133.23 68.88 1.49 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.479 0.712 . . . . 71.32 109.563 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.23 152.69 0.11 Allowed 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 125.504 1.522 . . . . 73.52 109.003 176.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 39.5 m -114.77 96.26 5.64 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 107.708 -1.219 . . . . 74.31 107.708 172.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 15.8 p -89.69 141.47 28.58 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.904 -0.406 . . . . 71.52 109.904 -164.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -80.07 93.25 5.74 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.531 0.732 . . . . 72.4 109.642 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.537 HD12 HG23 ' A' ' 78' ' ' THR . 8.2 mp -60.29 125.58 82.04 Favored Pre-proline 0 N--CA 1.475 0.804 0 N-CA-C 108.874 -0.787 . . . . 64.11 108.874 175.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -65.86 150.89 85.48 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.214 1.943 . . . . 74.34 111.805 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -63.35 161.42 30.99 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.072 1.848 . . . . 74.21 111.196 170.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -52.08 -31.56 30.94 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.033 0.933 . . . . 73.53 112.725 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -69.21 -21.49 63.94 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.065 0.946 . . . . 74.44 112.549 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.18 28.87 1.77 Allowed 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.156 0.503 . . . . 75.2 111.209 -175.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -93.16 110.81 22.32 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.774 0.83 . . . . 74.11 108.974 168.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.6 127.52 84.14 Favored Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 108.279 -1.008 . . . . 75.12 108.279 173.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -78.61 46.0 2.03 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 123.099 2.533 . . . . 63.21 112.476 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -143.16 155.0 44.46 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 124.239 1.015 . . . . 73.24 109.247 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.99 110.54 21.51 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.317 0.647 . . . . 73.43 109.946 175.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . 0.544 HG22 ' HB3' ' A' ' 151' ' ' PHE . 3.5 mp -106.8 85.2 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 106.324 -1.732 . . . . 71.33 106.324 177.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.94 83.04 8.19 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.392 -0.822 . . . . 71.01 110.321 -174.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -165.39 117.74 1.15 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.01 0.924 . . . . 64.14 108.989 175.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 51' ' ' TYR . . . 172.5 -162.41 34.21 Favored Glycine 0 C--O 1.238 0.402 0 N-CA-C 109.96 -1.256 . . . . 70.34 109.96 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.409 ' HG3' ' HB2' ' A' ' 50' ' ' ARG . 41.0 tt0 -80.6 144.93 31.99 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.742 -0.836 . . . . 75.3 108.742 166.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -76.22 155.19 34.65 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.875 0.47 . . . . 74.33 110.941 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 7.8 t -108.82 127.3 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.926 0.89 . . . . 73.11 108.752 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -98.93 131.58 44.9 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.106 0.562 . . . . 70.05 110.579 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.45 37.59 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 114.975 1.472 . . . . 75.53 114.975 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.05 -30.57 34.78 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.472 0.309 . . . . 73.23 110.896 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.34 -69.13 0.53 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.141 0.576 . . . . 73.14 109.832 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 123.667 0.787 . . . . 74.2 108.969 178.912 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.604 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 46.1 tpp . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 106.061 -1.829 . . . . 75.11 106.061 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.545 ' H ' ' HG3' ' A' ' 1' ' ' MET . 5.1 p -61.59 -38.29 49.86 Favored Pre-proline 0 CA--C 1.567 1.632 0 CA-C-O 118.551 -0.738 . . . . 74.45 111.461 168.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.604 ' HD2' ' HB3' ' A' ' 1' ' ' MET . 1.9 Cg_endo -86.15 175.72 5.51 Favored 'Trans proline' 0 C--N 1.395 2.999 0 C-N-CA 121.82 1.68 . . . . 75.13 111.351 159.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.4 tt -70.93 140.58 86.18 Favored Pre-proline 0 CA--C 1.568 1.672 0 CA-C-N 115.834 -0.621 . . . . 73.31 110.269 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.56 127.98 9.21 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.599 2.199 . . . . 74.33 110.293 170.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mt -176.36 -51.09 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 125.99 1.716 . . . . 74.51 108.07 -170.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -80.83 22.53 0.78 Allowed 'Trans proline' 0 C--N 1.399 3.218 0 C-N-CA 122.206 1.937 . . . . 74.22 112.461 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.89 -28.43 44.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 C-N-CA 124.573 1.149 . . . . 65.31 111.32 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -79.2 91.58 4.99 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.576 0.75 . . . . 64.33 110.24 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -29.67 140.91 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.606 1.562 . . . . 71.44 113.924 168.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.0 t -49.76 138.37 14.71 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 123.743 0.652 . . . . 74.33 109.961 170.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -42.05 -37.86 1.5 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 125.019 1.328 . . . . 62.23 114.023 -169.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.66 -55.54 25.98 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.608 0.763 . . . . 74.43 110.499 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -67.33 -28.37 67.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.899 0.879 . . . . 74.43 111.496 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.506 ' O ' HG13 ' A' ' 19' ' ' ILE . 34.9 t90 -69.55 -50.66 42.67 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.182 0.993 . . . . 72.32 109.765 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HG2' HG21 ' A' ' 54' ' ' ILE . 56.6 mtt180 -69.84 -28.1 65.4 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.069 -0.514 . . . . 74.34 110.84 177.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.23 96.4 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 118.898 -0.573 . . . . 64.22 111.077 168.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 29.2 mmt180 -58.15 -52.33 66.01 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 109.589 -0.522 . . . . 73.35 109.589 174.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.517 HG12 ' HG ' ' A' ' 153' ' ' LEU . 13.1 mt -57.35 -53.99 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 124.329 1.018 . . . . 63.42 111.266 -176.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.79 86.97 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 124.359 1.037 . . . . 61.11 111.726 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.89 -34.12 68.9 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.039 0.535 . . . . 63.14 111.935 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -74.19 -33.68 63.5 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.309 0.644 . . . . 64.31 110.199 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -69.11 -45.42 70.26 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 123.541 0.736 . . . . 75.15 109.116 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.2 96.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.663 0.785 . . . . 73.31 110.568 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.66 -60.23 3.73 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.735 -1.121 . . . . 73.52 110.37 173.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 41.3 mmtm -70.15 -12.92 61.94 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.359 0.664 . . . . 72.23 112.645 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HA ' HD22 ' A' ' 49' ' ' LEU . 26.3 t70 -71.4 -53.22 14.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.246 0.618 . . . . 75.44 110.381 170.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -82.89 -14.06 54.92 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.398 -0.364 . . . . 75.53 111.908 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -56.15 -59.82 4.38 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.411 1.085 . . . . 74.42 112.225 -175.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.531 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -76.35 -9.59 58.76 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.332 0.494 . . . . 74.33 112.332 -175.557 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.29 -48.94 6.2 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.43 0.692 . . . . 74.13 111.39 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.9 p -113.44 -55.5 2.51 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.61 0.764 . . . . 72.41 110.965 -169.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.42 ' HB3' ' NE2' ' A' ' 35' ' ' GLN . 29.0 m-70 -57.87 123.62 16.39 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 115.188 -0.915 . . . . 74.41 111.367 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.98 -8.57 38.37 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.683 1.193 . . . . 64.21 113.738 -172.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 33' ' ' HIS . 2.4 mp0 -67.68 -28.85 68.04 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.174 0.99 . . . . 72.14 112.299 -169.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 66.1 m -154.26 136.38 9.49 Favored Pre-proline 0 N--CA 1.48 1.026 0 N-CA-C 107.89 -1.152 . . . . 73.12 107.89 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -91.31 159.49 3.73 Favored 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 122.519 2.146 . . . . 73.55 112.28 173.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.531 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 15.4 tt -106.88 144.11 28.43 Favored Pre-proline 0 CA--C 1.554 1.115 0 N-CA-C 106.902 -1.518 . . . . 72.41 106.902 165.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -54.28 142.67 67.64 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 121.977 1.785 . . . . 75.24 112.319 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.38 -26.02 81.72 Favored 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 123.302 2.668 . . . . 75.22 113.443 -171.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.41 90.4 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.517 0.727 . . . . 74.22 110.872 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.81 -30.45 51.22 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.609 0.764 . . . . 73.45 110.475 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.427 ' HB2' HG21 ' A' ' 38' ' ' ILE . 65.2 ttt180 -68.39 -32.52 72.65 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.292 0.637 . . . . 75.3 111.33 175.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.04 -44.47 45.33 Favored Glycine 0 C--N 1.348 1.216 0 N-CA-C 111.43 -0.668 . . . . 71.32 111.43 173.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.43 28.7 1.07 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.001 0.921 . . . . 62.54 111.735 175.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -77.32 101.13 6.16 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.148 0.499 . . . . 71.41 110.305 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -92.65 -50.18 5.73 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.648 -0.871 . . . . 75.22 108.648 168.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 174.12 178.65 44.2 Favored Glycine 0 C--O 1.244 0.767 0 CA-C-N 114.479 -1.237 . . . . 63.32 112.186 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' ' 27' ' ' ASP . 4.4 mm? -99.36 158.82 15.45 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.094 0.558 . . . . 75.22 111.156 177.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -98.23 121.02 39.65 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.148 -0.933 . . . . 74.13 110.958 -166.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -126.9 146.3 50.35 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.726 -1.213 . . . . 75.11 107.726 168.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -101.15 175.03 5.73 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.535 0.734 . . . . 71.45 110.043 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.52 134.63 56.66 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.812 0.695 . . . . 75.13 110.791 -170.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.437 HG21 ' HG2' ' A' ' 16' ' ' ARG . 38.2 mm -67.58 133.81 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 C-N-CA 124.24 1.016 . . . . 74.41 110.905 -172.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -150.81 118.96 6.3 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.746 0.308 . . . . 74.01 111.204 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.89 -11.72 59.79 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.268 1.027 . . . . 70.42 113.169 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.0 m -79.01 -25.74 43.28 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 110.253 -0.277 . . . . 72.22 110.253 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -75.62 2.71 11.14 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.296 0.638 . . . . 72.53 112.464 172.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 32.9 ttm180 -91.37 108.17 19.7 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.134 -1.061 . . . . 53.1 108.134 171.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.5 m -100.37 145.5 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 108.775 -0.824 . . . . 74.03 108.775 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.4 123.54 33.05 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.704 -1.221 . . . . 74.24 107.704 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.84 137.56 51.48 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.668 -0.493 . . . . 73.21 109.668 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.01 115.14 13.13 Favored 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.118 0.886 . . . . 74.3 108.811 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.485 ' HA ' HD11 ' A' ' 91' ' ' LEU . 35.6 t80 -81.91 113.65 19.98 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 123.962 0.905 . . . . 73.44 109.39 -176.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -113.96 104.59 54.94 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 107.94 -1.133 . . . . 63.23 107.94 170.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.5 151.5 79.8 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.141 1.894 . . . . 65.12 111.255 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.73 100.54 2.87 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.39 -1.337 . . . . 72.33 107.39 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -56.56 -20.03 18.71 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.041 0.936 . . . . 72.3 111.93 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -141.75 93.39 7.62 Favored Pre-proline 0 CA--C 1.551 0.995 0 N-CA-C 107.367 -1.345 . . . . 73.31 107.367 168.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.86 127.61 19.02 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.752 2.302 . . . . 75.55 111.922 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -132.39 153.81 50.42 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.262 0.625 . . . . 74.4 109.804 -173.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.99 135.17 36.83 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.598 0.759 . . . . 64.31 110.38 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.1 m -132.88 164.23 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.034 1.334 . . . . 74.35 108.756 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -108.38 130.18 55.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.254 0.622 . . . . 61.23 109.483 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -116.29 122.69 45.7 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.286 -1.375 . . . . 73.44 107.286 167.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' HB2' HD13 ' A' ' 169' ' ' LEU . 46.1 mt-10 -64.58 156.81 28.73 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.783 0.433 . . . . 64.31 110.315 -176.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.0 p -119.68 151.78 38.19 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.42 0.555 . . . . 53.21 109.545 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.3 p -66.34 -25.99 67.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.39 0.676 . . . . 75.25 110.925 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -90.72 -7.89 51.32 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.555 0.742 . . . . 75.53 111.436 -175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.38 -119.02 1.71 Allowed Glycine 0 C--N 1.353 1.504 0 CA-C-O 118.754 -1.025 . . . . 73.24 113.08 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -51.26 133.91 43.13 Favored 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 125.001 3.801 . . . . 73.41 113.78 -171.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -63.72 141.45 79.09 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 123.029 2.486 . . . . 73.14 113.601 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.18 117.17 24.83 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.854 1.262 . . . . 75.51 108.907 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.91 125.51 32.71 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.336 0.654 . . . . 73.35 110.594 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.513 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 70.0 m-85 -133.56 150.67 51.64 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.623 0.769 . . . . 73.25 109.392 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.3 m -89.37 130.64 35.71 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.561 -0.903 . . . . 71.42 108.561 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -74.95 115.92 15.1 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.751 0.705 . . . . 75.0 109.134 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' ' 106' ' ' ARG . . . -97.81 -35.9 10.37 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.927 0.891 . . . . 73.4 111.764 -176.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.18 170.02 21.56 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.98 0.512 . . . . 74.53 110.465 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.481 HG13 HG22 ' A' ' 101' ' ' THR . 7.6 t -136.79 112.07 11.1 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 N-CA-C 107.205 -1.406 . . . . 73.4 107.205 175.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 64' ' ' TYR . 3.5 mm? -93.4 127.57 39.07 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.076 0.95 . . . . 75.11 110.388 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -118.62 127.5 7.29 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-O 119.617 -0.546 . . . . 74.22 111.873 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -152.24 170.77 19.21 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 117.591 0.696 . . . . 74.43 110.268 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.537 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 6.0 p-10 -116.78 144.39 44.53 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.096 -0.705 . . . . 74.13 109.096 170.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.51 133.53 42.3 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 106.922 -1.51 . . . . 74.5 106.922 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.91 -104.77 0.71 Allowed Glycine 0 C--N 1.355 1.585 0 CA-C-O 121.008 0.227 . . . . 74.23 113.215 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -114.8 -7.04 12.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.612 0.765 . . . . 53.41 111.607 -175.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -137.21 155.46 49.49 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.692 0.758 . . . . 72.51 112.409 -173.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 6.3 p80 -105.13 138.11 41.84 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.884 -1.053 . . . . 74.14 110.406 -177.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -139.57 153.57 47.43 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.115 0.966 . . . . 74.05 109.782 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.481 HG22 HG13 ' A' ' 90' ' ' VAL . 10.4 m -128.3 116.12 19.34 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 114.995 -1.002 . . . . 74.32 108.668 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 mp -103.18 141.0 36.62 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.942 1.297 . . . . 75.34 109.433 -173.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 15.0 m -91.41 130.73 37.21 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 110.042 -0.355 . . . . 63.43 110.042 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.03 129.67 48.39 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.535 1.134 . . . . 75.43 109.513 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.513 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 65.7 m-85 -107.82 145.55 33.46 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.569 0.748 . . . . 73.52 110.921 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.573 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 52.1 ttt180 -91.51 121.05 32.86 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 125.378 1.471 . . . . 64.21 108.281 173.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.621 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 17.0 t -95.01 127.2 47.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 108.288 -1.005 . . . . 71.13 108.288 175.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -53.39 115.3 1.85 Allowed 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 124.36 1.064 . . . . 74.42 112.428 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 88.44 -7.27 82.19 Favored Glycine 0 N--CA 1.473 1.112 0 CA-C-N 115.774 -0.648 . . . . 70.43 113.511 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.621 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 13.7 tp10 -103.59 129.7 50.89 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.833 0.853 . . . . 74.41 109.729 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.6 m -70.9 -27.84 64.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.328 1.051 . . . . 60.14 112.569 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.7 m -90.42 141.86 28.31 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.385 0.674 . . . . 64.15 110.561 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.2 mt -81.21 144.84 31.31 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.095 0.958 . . . . 73.21 109.293 175.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -100.44 109.31 21.45 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.644 -1.243 . . . . 74.01 107.644 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.0 90.93 5.8 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 107.543 -1.28 . . . . 73.31 107.543 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 61.4 Cg_endo -72.81 132.6 18.77 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 121.972 1.781 . . . . 72.05 110.105 176.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -152.58 167.52 28.58 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.447 0.641 . . . . 73.43 111.666 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.422 HG21 ' HG3' ' A' ' 170' ' ' PRO . 15.1 p -134.27 149.41 50.92 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.01 -1.45 . . . . 64.34 109.553 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -112.56 -176.6 2.95 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.131 -1.063 . . . . 73.44 108.131 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 179' ' ' ALA . 28.2 mm-40 -63.37 -17.58 62.77 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 122.255 0.222 . . . . 74.33 111.048 167.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 76.8 p -54.94 -27.33 42.7 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.951 1.301 . . . . 75.14 112.408 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 71.4 p -70.69 -49.82 43.04 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.794 0.838 . . . . 73.1 110.642 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.59 -31.16 71.93 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.354 1.061 . . . . 73.45 110.886 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.38 -33.08 74.77 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.685 1.194 . . . . 64.04 111.842 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.07 -43.86 1.72 Allowed Glycine 0 C--N 1.349 1.258 0 CA-C-O 119.216 -0.769 . . . . 71.11 114.761 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -54.98 -45.97 75.07 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 124.112 0.965 . . . . 75.2 112.991 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.479 HG21 ' H ' ' A' ' 128' ' ' TYR . 1.3 m -89.23 -174.95 4.61 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 114.926 -1.034 . . . . 70.5 109.264 -174.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.479 ' H ' HG21 ' A' ' 127' ' ' THR . 26.3 p90 -46.77 143.84 2.63 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.332 1.053 . . . . 74.54 111.998 172.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -86.53 -51.13 6.36 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.93 0.492 . . . . 75.15 109.673 167.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.565 ' HE2' ' HG2' ' A' ' 157' ' ' PRO . 10.4 p-80 -70.12 -24.36 63.18 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.212 0.819 . . . . 72.3 113.212 -164.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.27 -177.02 16.88 Favored Glycine 0 C--N 1.34 0.781 0 CA-C-O 121.751 0.639 . . . . 42.24 113.446 -175.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 30.6 ptt180 -142.1 -176.29 4.75 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.143 -1.428 . . . . 75.52 107.143 172.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.431 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 94.4 m-85 -113.52 173.44 6.41 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 123.447 0.699 . . . . 75.4 110.512 173.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.442 HD21 HG23 ' A' ' 136' ' ' VAL . 1.6 tt -132.83 119.76 20.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.222 -2.14 . . . . 71.53 105.222 164.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -90.88 99.74 12.72 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.322 -1.362 . . . . 74.34 107.322 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.442 HG23 HD21 ' A' ' 134' ' ' LEU . 57.2 t -100.54 124.35 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 114.69 -1.141 . . . . 65.31 109.291 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -85.58 107.49 12.65 Favored Pre-proline 0 C--O 1.241 0.61 0 N-CA-C 105.975 -1.861 . . . . 74.42 105.975 171.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.22 -23.53 66.21 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.338 2.026 . . . . 72.4 112.346 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 52.18 36.17 18.56 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 124.405 1.082 . . . . 72.34 111.894 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 50.73 50.13 38.36 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.71 0.631 . . . . 74.51 114.378 -171.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -71.97 168.4 18.1 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.437 0.695 . . . . 71.21 112.041 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -143.96 170.05 16.66 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.972 0.509 . . . . 74.11 110.29 -174.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.8 115.26 6.59 Favored Glycine 0 C--N 1.354 1.535 0 C-N-CA 123.727 0.679 . . . . 74.24 113.639 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.69 -1.71 60.06 Favored Glycine 0 N--CA 1.467 0.766 0 O-C-N 123.818 0.363 . . . . 52.54 112.856 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -82.63 -172.75 4.24 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.47 -0.937 . . . . 74.42 108.47 169.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -144.03 155.01 43.84 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.176 0.512 . . . . 72.51 111.508 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 35.5 m -134.98 161.4 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.054 0.942 . . . . 74.15 109.764 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.23 108.32 14.77 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.479 0.712 . . . . 74.22 110.981 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.74 91.94 6.32 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 108.208 -1.034 . . . . 74.04 108.208 170.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.538 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 9.1 t0 -97.35 110.49 23.03 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.688 -0.687 . . . . 71.31 109.395 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.4 ' HB3' HG21 ' A' ' 180' ' ' ILE . 17.4 m-85 -80.19 -18.33 49.93 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.488 0.715 . . . . 75.34 111.675 -177.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . 0.518 ' HA ' ' HB3' ' A' ' 182' ' ' ALA . 28.5 t-20 -74.33 -36.01 63.65 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.435 -0.58 . . . . 72.04 109.435 173.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.517 ' HG ' HG12 ' A' ' 19' ' ' ILE . 8.7 mp -95.74 10.94 35.25 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 114.994 -1.003 . . . . 75.03 111.619 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -53.73 150.73 6.94 Favored 'General case' 0 C--O 1.243 0.715 0 O-C-N 124.017 0.823 . . . . 74.11 111.195 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.602 ' HE1' ' HE2' ' A' ' 26' ' ' LYS . 67.7 t80 -95.39 137.02 35.02 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 108.004 -1.11 . . . . 73.41 108.004 -172.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.611 ' HB3' ' HD2' ' A' ' 185' ' ' ARG . 45.3 m-80 -118.24 131.11 24.35 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 122.556 0.342 . . . . 74.52 111.245 -167.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . 0.565 ' HG2' ' HE2' ' A' ' 130' ' ' HIS . 10.7 Cg_exo -73.79 163.55 36.86 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 123.564 2.843 . . . . 73.23 112.596 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -86.15 -4.16 59.11 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.618 0.767 . . . . 73.43 112.723 -171.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . 0.43 ' HB2' ' HE1' ' A' ' 130' ' ' HIS . 15.5 m -62.0 -34.45 76.21 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.748 1.018 . . . . 73.53 113.748 -171.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.446 ' HB3' ' HG3' ' A' ' 185' ' ' ARG . . . -78.72 10.3 3.4 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 112.938 0.718 . . . . 65.51 112.938 -176.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -90.67 8.05 36.36 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 109.666 -0.494 . . . . 72.43 109.666 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.81 -40.08 2.54 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 111.281 -0.728 . . . . 63.25 111.281 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -66.15 148.64 51.02 Favored Glycine 0 C--N 1.349 1.268 0 N-CA-C 111.931 -0.468 . . . . 62.35 111.931 169.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 13.1 m -100.74 92.71 5.21 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.057 -1.09 . . . . 75.23 108.057 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -97.8 155.34 17.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.114 0.566 . . . . 75.41 110.563 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 33.2 p -76.97 132.1 38.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.224 0.61 . . . . 74.21 109.974 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 10.4 p -144.34 126.35 15.46 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.604 0.762 . . . . 73.02 109.375 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -68.87 113.02 5.92 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.802 0.841 . . . . 73.33 110.299 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' A' ' 76' ' ' GLU . 97.4 mt -62.71 141.54 97.08 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.45 1.1 . . . . 75.3 110.868 178.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.422 ' HG3' HG21 ' A' ' 118' ' ' THR . 37.0 Cg_endo -64.81 148.47 90.03 Favored 'Trans proline' 0 C--N 1.368 1.573 0 C-N-CA 122.678 2.252 . . . . 75.11 112.447 175.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.77 148.41 22.16 Favored 'Trans proline' 0 C--N 1.371 1.747 0 C-N-CA 122.652 2.235 . . . . 73.24 111.912 162.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -43.05 -35.21 1.2 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.382 1.623 . . . . 74.33 115.382 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -92.99 -2.11 56.06 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.305 0.574 . . . . 70.33 111.884 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -85.66 16.84 3.64 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 121.795 0.807 . . . . 73.03 110.633 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -93.74 114.41 26.69 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.03 -1.1 . . . . 74.31 108.03 167.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 33.8 m -81.47 143.12 50.93 Favored Pre-proline 0 CA--C 1.553 1.062 0 N-CA-C 109.054 -0.721 . . . . 75.35 109.054 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -87.53 38.83 0.53 Allowed 'Trans proline' 0 C--N 1.372 1.775 0 C-N-CA 123.091 2.527 . . . . 74.35 112.112 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -150.52 147.36 27.38 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 124.518 1.127 . . . . 64.44 108.722 -172.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 120' ' ' GLU . . . -90.94 124.18 35.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.762 -0.829 . . . . 74.4 108.762 175.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . 0.4 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -113.58 92.15 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 107.435 -1.32 . . . . 62.52 107.435 178.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 22.7 p -84.9 80.55 9.24 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 122.028 0.918 . . . . 72.02 108.655 173.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.518 ' HB3' ' HA ' ' A' ' 152' ' ' ASN . . . -126.48 -157.8 0.82 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 113.588 -1.642 . . . . 72.23 107.821 -177.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -57.0 103.38 0.28 Allowed Glycine 0 C--N 1.363 2.064 0 N-CA-C 109.551 -1.42 . . . . 62.23 109.551 167.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -128.13 157.09 41.7 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 125.114 1.366 . . . . 74.24 109.256 -169.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . 0.611 ' HD2' ' HB3' ' A' ' 156' ' ' ASN . 2.4 tpm_? -99.65 121.5 41.31 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.739 -0.467 . . . . 71.32 109.739 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 2.6 p -167.38 155.17 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 C-N-CA 126.076 1.75 . . . . 72.24 107.594 -169.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.95 124.78 20.46 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.697 0.399 . . . . 75.25 110.83 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.65 -26.87 68.28 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 124.84 1.338 . . . . 73.31 112.0 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.73 -31.58 72.87 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.558 0.743 . . . . 70.3 111.902 175.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.61 -56.97 2.82 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.788 0.835 . . . . 64.51 110.244 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 . . . . . 0 C--O 1.25 1.103 0 C-N-CA 124.351 1.06 . . . . 74.43 109.389 -176.055 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.856 -0.424 . . . . 74.32 109.856 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.458 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 33.2 t -74.42 -51.05 4.5 Favored Pre-proline 0 CA--C 1.562 1.413 0 CA-C-O 118.622 -0.704 . . . . 73.01 110.619 176.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.458 ' HD3' ' HB3' ' A' ' 2' ' ' SER . 5.4 Cg_exo -78.54 159.85 28.66 Favored 'Trans proline' 0 C--N 1.395 3.02 0 C-N-CA 121.612 1.541 . . . . 73.24 111.039 171.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.61 142.65 96.71 Favored Pre-proline 0 N--CA 1.483 1.199 0 C-N-CA 123.193 0.597 . . . . 74.34 109.67 173.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.6 127.7 22.47 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 121.88 1.72 . . . . 71.42 110.757 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mt -177.46 -51.65 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.112 0 C-N-CA 125.932 1.693 . . . . 65.23 107.997 -171.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -83.19 33.84 0.53 Allowed 'Trans proline' 0 C--N 1.403 3.403 0 C-N-CA 122.043 1.828 . . . . 75.12 111.814 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' A' ' 137' ' ' ASP . 33.4 m -61.48 -29.96 47.11 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 C-N-CA 123.902 0.881 . . . . 73.45 110.538 171.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 t -91.48 39.41 1.0 Allowed 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.303 1.041 . . . . 71.43 110.167 173.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 48.73 -158.88 0.06 Allowed 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.06 1.133 . . . . 71.33 114.06 -173.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -112.76 155.43 24.59 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.768 -1.567 . . . . 73.1 106.768 168.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -38.31 -47.46 1.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.875 1.806 . . . . 72.42 115.875 -165.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.11 -52.0 27.13 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.876 0.37 . . . . 71.53 110.925 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -63.76 -28.3 69.78 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.418 -0.81 . . . . 73.21 111.886 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.481 ' O ' HG13 ' A' ' 19' ' ' ILE . 19.8 t90 -72.22 -48.39 43.27 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.796 1.239 . . . . 75.14 109.991 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -63.08 -35.7 81.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.74 0.416 . . . . 72.33 110.567 174.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.15 93.31 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.703 0.401 . . . . 75.31 111.586 170.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 29.9 mmt180 -59.42 -51.04 71.59 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 123.479 0.487 . . . . 74.3 110.459 176.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 15' ' ' TRP . 10.3 mt -61.37 -55.34 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 123.781 0.676 . . . . 74.23 110.132 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.97 -56.17 17.99 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.017 0.927 . . . . 73.34 111.587 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -52.98 58.36 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.557 0.536 . . . . 70.43 111.711 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -72.25 -34.05 67.96 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.3 0.64 . . . . 74.42 111.637 -171.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -85.91 -28.71 24.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.668 0.387 . . . . 73.3 110.846 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.04 68.94 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 120.891 0.377 . . . . 73.3 109.993 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.26 -45.25 94.12 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 115.509 -0.769 . . . . 73.35 109.642 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -66.05 -36.36 83.03 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.548 -0.751 . . . . 72.41 110.112 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.24 -44.85 94.04 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.081 0.953 . . . . 74.41 111.279 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.42 -22.34 38.29 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 119.32 -0.371 . . . . 73.42 111.212 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -51.03 -56.22 13.6 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.133 0.973 . . . . 73.22 112.848 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.67 -16.53 61.21 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.384 0.512 . . . . 75.24 112.384 -176.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.77 -40.97 15.49 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.952 0.501 . . . . 73.13 111.038 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.5 p -100.89 -56.71 2.26 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 123.224 0.61 . . . . 75.23 111.395 -174.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -66.81 143.9 56.62 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.319 0.581 . . . . 71.54 112.195 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -87.33 -9.36 55.09 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.724 -1.126 . . . . 70.45 111.045 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -62.31 -38.58 89.96 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.05 0.94 . . . . 73.13 112.123 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -154.82 71.89 5.89 Favored Pre-proline 0 N--CA 1.477 0.907 0 N-CA-C 107.61 -1.256 . . . . 72.4 107.61 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -86.27 165.08 9.71 Favored 'Trans proline' 0 C--N 1.368 1.592 0 C-N-CA 122.339 2.026 . . . . 72.53 112.713 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.9 mt -78.69 134.91 60.52 Favored Pre-proline 0 CA--C 1.549 0.917 0 N-CA-C 106.815 -1.55 . . . . 75.14 106.815 167.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -39.9 134.24 1.71 Allowed 'Trans proline' 0 C--N 1.387 2.602 0 C-N-CA 123.686 2.924 . . . . 75.24 113.169 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -45.07 -44.7 15.03 Favored 'Trans proline' 0 C--N 1.387 2.56 0 C-N-CA 124.37 3.38 . . . . 72.23 115.362 -164.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.48 -43.36 73.36 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.84 0.456 . . . . 75.23 111.041 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.13 -29.5 64.12 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.053 0.941 . . . . 75.23 111.146 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -68.34 -25.5 65.13 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.751 0.821 . . . . 72.13 111.108 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.81 -35.11 84.48 Favored Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.765 -0.652 . . . . 74.14 111.755 172.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.3 10.09 11.4 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.779 0.832 . . . . 73.24 112.815 176.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -78.53 112.1 15.24 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.959 0.409 . . . . 73.11 110.195 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.05 -34.3 10.13 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.726 0.81 . . . . 64.43 110.184 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.99 147.65 5.11 Favored Glycine 0 C--N 1.342 0.867 0 N-CA-C 110.369 -1.092 . . . . 52.1 110.369 -172.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 30' ' ' LEU . 65.8 mt -73.24 163.05 28.67 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.747 0.784 . . . . 65.2 111.91 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -88.72 117.92 28.04 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.494 -1.669 . . . . 73.32 106.494 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -127.44 150.39 49.67 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 122.837 0.455 . . . . 73.53 109.775 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -87.05 153.69 21.34 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 107.986 -1.116 . . . . 63.34 107.986 165.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -74.09 162.79 28.63 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 108.458 -0.942 . . . . 53.04 108.458 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.556 HG21 HD22 ' A' ' 152' ' ' ASN . 23.9 mm -63.56 112.89 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.199 0.599 . . . . 74.33 110.02 -170.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -103.88 126.81 51.27 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.009 0.523 . . . . 73.41 111.29 -170.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.483 ' HA ' ' NH2' ' A' ' 59' ' ' ARG . . . -81.62 -32.86 31.76 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.994 0.917 . . . . 73.14 111.99 174.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.8 t -63.98 -32.28 73.76 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.189 0.996 . . . . 73.43 113.222 -166.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.429 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 64.3 m-85 -99.2 27.06 5.37 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.795 0.838 . . . . 74.25 112.075 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.483 ' NH2' ' HA ' ' A' ' 56' ' ' ALA . 30.0 ttm180 -97.75 93.71 6.53 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.855 -0.794 . . . . 74.22 108.855 171.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.3 m -100.24 166.62 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 109.501 -0.555 . . . . 74.55 109.501 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.03 122.46 45.25 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.464 -0.939 . . . . 73.11 108.464 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.7 138.65 47.99 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.449 0.7 . . . . 53.25 109.544 -172.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -74.54 125.76 29.32 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.555 -0.906 . . . . 74.15 108.555 175.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -89.89 126.78 35.84 Favored 'General case' 0 C--O 1.247 0.95 0 C-N-CA 124.294 1.038 . . . . 72.42 109.278 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -133.38 106.54 12.11 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.04 0.936 . . . . 75.14 109.003 172.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 74.1 Cg_endo -71.42 158.13 54.87 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.249 1.966 . . . . 72.45 111.229 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.64 103.56 12.24 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.095 -0.706 . . . . 63.21 109.095 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -67.77 -22.23 65.21 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.416 0.687 . . . . 72.44 110.51 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -121.27 82.7 38.66 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 124.518 1.127 . . . . 74.43 108.137 169.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.56 123.64 8.26 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 122.32 2.013 . . . . 70.2 112.207 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -125.12 154.43 41.46 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.714 0.806 . . . . 65.44 109.694 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' ' 84' ' ' GLU . . . -85.46 128.25 34.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.849 -0.797 . . . . 73.13 108.849 174.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.48 152.09 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 108.494 -0.928 . . . . 73.04 108.494 175.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -95.87 121.16 37.32 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.431 -0.581 . . . . 74.03 109.431 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.405 HD21 ' CD1' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -118.68 118.39 31.5 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 106.822 -1.547 . . . . 74.44 106.822 170.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.2 153.4 18.43 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 109.673 -0.491 . . . . 65.35 109.673 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.9 p -107.1 152.52 23.93 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.638 -0.875 . . . . 73.32 108.638 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.401 ' OG1' ' SG ' ' A' ' 159' ' ' CYS . 16.0 p -68.85 -19.91 64.27 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.056 0.542 . . . . 74.02 111.294 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -82.67 -23.54 34.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.842 0.857 . . . . 75.14 111.374 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.85 -120.5 1.23 Allowed Glycine 0 C--N 1.351 1.403 0 CA-C-O 118.76 -1.022 . . . . 60.31 113.09 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -48.98 140.98 23.03 Favored 'Trans proline' 0 C--N 1.391 2.774 0 C-N-CA 124.966 3.777 . . . . 63.53 114.054 -170.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.98 161.63 43.35 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.75 2.3 . . . . 74.25 113.485 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.67 129.94 51.88 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 125.187 1.395 . . . . 74.51 108.983 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 72' ' ' ALA . 39.6 mt-10 -88.58 126.39 35.26 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.159 0.583 . . . . 65.41 109.745 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CD1' HD21 ' A' ' 75' ' ' LEU . 26.6 m-85 -122.76 134.42 54.44 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.257 -1.016 . . . . 72.14 108.257 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.2 m -84.18 138.8 32.8 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.336 -0.616 . . . . 73.32 109.336 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -72.58 109.91 6.58 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.121 -1.066 . . . . 73.35 108.121 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 106' ' ' ARG . . . -84.3 -46.86 11.35 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.523 0.677 . . . . 74.01 109.971 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -155.28 166.97 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.441 -1.254 . . . . 62.02 109.938 -175.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.6 t -131.07 126.59 59.65 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 N-CA-C 107.126 -1.435 . . . . 72.55 107.126 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -105.08 125.45 50.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.2 1.0 . . . . 73.41 110.086 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.06 122.61 6.79 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 110.564 -1.014 . . . . 74.11 110.564 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -142.9 -176.4 4.88 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.916 0.858 . . . . 75.41 110.3 -175.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -132.19 156.45 46.42 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.706 0.802 . . . . 53.41 109.317 174.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 tp -169.56 131.53 1.14 Allowed 'General case' 0 C--O 1.251 1.148 0 N-CA-C 108.73 -0.841 . . . . 75.41 108.73 -169.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.01 -102.86 1.2 Allowed Glycine 0 C--N 1.351 1.4 0 N-CA-C 112.106 -0.397 . . . . 62.1 112.106 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -124.46 -1.81 8.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.839 0.855 . . . . 74.45 110.401 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.1 m -130.01 157.18 43.06 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.977 0.894 . . . . 74.3 112.626 -168.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -94.89 119.77 34.0 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 114.032 -1.44 . . . . 72.31 108.264 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -118.97 155.98 30.4 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.61 0.764 . . . . 64.11 109.383 -172.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.4 m -128.11 131.37 49.02 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.019 0.528 . . . . 75.14 110.091 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 mp -121.55 132.02 54.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.104 1.361 . . . . 74.2 108.221 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.6 m -95.25 134.24 38.22 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.067 0.461 . . . . 74.4 110.19 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.562 ' HB2' ' HB3' ' A' ' 113' ' ' LEU . . . -98.53 121.87 41.02 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 124.416 1.086 . . . . 72.22 108.912 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -100.82 152.74 20.16 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.758 0.789 . . . . 72.24 112.061 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.401 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 42.0 ttt180 -95.37 118.58 32.36 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 125.781 1.632 . . . . 74.54 108.026 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.2 t -114.69 129.42 70.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 C-N-CA 124.242 1.017 . . . . 74.01 108.611 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -63.24 142.63 58.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.214 0.606 . . . . 65.31 110.807 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.18 -39.18 2.25 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-N 116.277 -0.42 . . . . 64.03 113.288 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -64.57 151.7 43.95 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.233 1.013 . . . . 73.21 110.525 176.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.7 t -109.54 -20.66 12.79 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.833 0.853 . . . . 72.52 109.469 -174.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.4 m -103.91 -179.15 3.87 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.193 0.997 . . . . 74.13 110.062 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.562 ' HB3' ' HB2' ' A' ' 104' ' ' ALA . 49.9 mt -102.95 134.89 45.63 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.459 -0.941 . . . . 71.44 108.459 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.48 108.14 20.08 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.09 -1.078 . . . . 75.23 108.09 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.47 101.73 47.01 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.307 0.643 . . . . 54.52 109.848 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -90.29 123.07 1.01 Allowed 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 123.355 2.703 . . . . 73.33 110.939 167.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.428 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 19.8 p90 -146.46 170.93 15.84 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.466 0.706 . . . . 74.25 109.686 177.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.23 163.43 28.6 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.144 0.497 . . . . 75.13 110.716 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.544 ' HB2' ' H ' ' A' ' 122' ' ' THR . 1.5 m-20 -112.8 -170.73 1.73 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.543 1.137 . . . . 75.44 110.009 -176.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -79.62 -39.84 30.64 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.629 -1.169 . . . . 73.43 108.659 152.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 m -51.16 -42.03 60.55 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.829 1.652 . . . . 74.52 111.876 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.544 ' H ' ' HB2' ' A' ' 119' ' ' ASP . 40.9 p -63.39 -43.76 96.66 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.153 -0.93 . . . . 65.41 111.056 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.6 -20.72 66.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.103 0.961 . . . . 64.55 112.414 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 126' ' ' ARG . 43.0 m-20 -81.54 -8.89 59.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.12 0.568 . . . . 70.11 111.954 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.1 -16.46 28.07 Favored Glycine 0 C--N 1.352 1.451 0 N-CA-C 114.284 0.474 . . . . 55.34 114.284 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.468 ' HG2' ' HB2' ' A' ' 124' ' ' ASP . 26.2 ptt180 -63.35 -21.85 66.52 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.862 0.865 . . . . 73.32 111.862 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 185' ' ' ARG . 26.9 p -133.44 159.42 40.41 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.679 -0.86 . . . . 73.54 108.679 165.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.75 96.15 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 126.534 1.934 . . . . 75.11 114.553 177.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.438 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 11.7 pt-20 -70.26 -20.75 63.04 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.38 1.072 . . . . 71.22 112.373 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -78.61 -8.19 58.38 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.269 0.628 . . . . 72.5 111.9 176.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 141.52 155.45 6.47 Favored Glycine 0 C--N 1.341 0.832 0 CA-C-N 116.784 -0.189 . . . . 61.41 112.803 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -109.4 145.13 36.63 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.498 1.119 . . . . 75.34 108.28 169.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -111.59 162.94 14.62 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.662 0.385 . . . . 74.03 110.199 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.428 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 1.6 tt -157.72 141.98 16.14 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 107.304 -1.369 . . . . 71.55 107.304 170.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.27 132.68 46.68 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.035 -1.098 . . . . 74.24 108.035 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 77.3 t -114.91 122.73 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 109.257 -0.646 . . . . 74.51 109.257 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.466 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 29.4 t70 -78.07 111.76 20.58 Favored Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 108.595 -0.891 . . . . 72.41 108.595 174.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.79 -38.03 25.4 Favored 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 122.481 2.121 . . . . 65.52 112.682 -177.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 55.69 28.96 12.89 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.31 1.044 . . . . 74.44 112.914 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 57.26 44.26 93.4 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 114.056 0.382 . . . . 53.55 114.056 -169.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.07 160.65 28.9 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.667 0.387 . . . . 64.15 110.785 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -138.3 171.67 14.04 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.225 0.61 . . . . 74.51 109.439 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.18 112.58 3.71 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 123.776 0.673 . . . . 65.21 112.28 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 114.44 -17.89 18.33 Favored Glycine 0 N--CA 1.467 0.747 0 CA-C-O 119.659 -0.523 . . . . 65.12 112.794 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -74.71 -179.65 4.26 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 109.29 -0.633 . . . . 71.44 109.29 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -133.84 160.67 36.94 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.108 0.48 . . . . 74.44 110.483 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.64 148.73 28.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 C-N-CA 124.51 1.124 . . . . 64.45 108.245 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.95 112.46 18.36 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.873 -0.417 . . . . 41.21 109.873 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.8 mt -96.59 88.72 4.75 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 124.035 0.934 . . . . 75.42 108.532 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 45.6 t0 -94.9 111.09 22.91 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.75 -0.833 . . . . 73.14 108.75 177.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.499 ' HB3' HG21 ' A' ' 180' ' ' ILE . 44.3 m-85 -72.31 -14.53 61.77 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.972 0.909 . . . . 74.4 111.651 -177.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . 0.556 HD22 HG21 ' A' ' 54' ' ' ILE . 29.8 t30 -57.55 -35.24 70.07 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.801 0.841 . . . . 71.11 111.182 171.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 150' ' ' ASP . 3.9 mm? -83.36 10.82 7.79 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.621 0.768 . . . . 75.35 112.403 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -61.64 137.06 58.22 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 112.866 0.691 . . . . 63.51 112.866 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -102.02 177.95 4.75 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 124.716 1.206 . . . . 72.31 111.43 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -133.92 139.37 33.17 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-N 114.033 -1.44 . . . . 73.22 111.458 -162.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.49 138.15 17.17 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 122.782 2.322 . . . . 73.35 110.979 163.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.11 -2.91 46.56 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.852 0.861 . . . . 75.1 111.482 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . 0.401 ' SG ' ' OG1' ' A' ' 78' ' ' THR . 26.6 m -61.64 -36.73 81.6 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.774 1.23 . . . . 73.03 112.407 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.87 -9.99 25.14 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.44 1.096 . . . . 71.03 113.307 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -91.89 14.16 16.4 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.312 1.045 . . . . 74.13 111.999 -170.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 108.91 7.05 29.69 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 119.947 -0.363 . . . . 75.5 113.836 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -166.16 118.91 0.83 Allowed Glycine 0 C--N 1.341 0.807 0 N-CA-C 110.63 -0.988 . . . . 60.02 110.63 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 61.6 p -62.46 112.72 2.57 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.492 0.717 . . . . 74.24 112.761 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -92.87 -175.67 3.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.652 0.781 . . . . 75.55 109.462 170.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 23.2 t -90.23 93.39 9.33 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.677 -0.49 . . . . 70.13 109.677 -176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 18.6 p -124.27 135.57 53.5 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 108.283 -1.006 . . . . 75.2 108.283 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.08 119.7 17.68 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.905 0.882 . . . . 75.4 110.614 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.16 126.82 79.06 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.285 1.034 . . . . 73.21 109.365 171.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -63.02 144.88 93.79 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.449 2.099 . . . . 65.11 111.586 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.09 156.13 67.7 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 121.962 1.775 . . . . 75.03 111.457 174.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -55.39 -30.22 59.97 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.002 0.921 . . . . 75.25 113.156 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.17 -23.04 62.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.093 0.557 . . . . 74.11 111.728 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -100.43 11.38 39.57 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.173 0.511 . . . . 75.24 110.618 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -82.72 99.81 9.86 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 107.052 -1.462 . . . . 75.42 107.052 170.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.58 117.02 63.96 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 123.984 0.913 . . . . 64.5 109.895 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -70.53 64.16 2.25 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.995 2.464 . . . . 72.31 112.345 165.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -153.88 147.55 25.23 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 124.586 1.154 . . . . 74.03 108.282 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -94.79 109.77 21.7 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.73 -0.47 . . . . 71.22 109.73 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . 0.499 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.4 mp -95.19 101.86 12.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 107.33 -1.359 . . . . 73.3 107.33 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 41.3 p -92.06 62.26 4.17 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.995 0.903 . . . . 74.51 109.359 176.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -164.79 116.39 1.21 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.218 -1.355 . . . . 73.51 107.35 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 169.65 -156.16 26.83 Favored Glycine 0 C--O 1.241 0.531 0 N-CA-C 109.93 -1.268 . . . . 63.32 109.93 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -88.22 140.79 29.12 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.844 -0.799 . . . . 72.13 108.844 155.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . 0.467 ' HA ' HG22 ' A' ' 127' ' ' THR . 14.0 ttm180 -96.41 160.82 14.21 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.265 -1.013 . . . . 74.32 108.265 177.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.442 HG12 ' HG2' ' A' ' 191' ' ' GLU . 53.2 t -132.35 159.95 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 107.793 -1.188 . . . . 73.23 107.793 175.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -76.08 132.3 39.99 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.187 -0.672 . . . . 74.14 109.187 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -67.82 5.71 0.82 Allowed 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.919 0.888 . . . . 65.42 112.699 166.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -96.62 -41.15 8.67 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.967 0.907 . . . . 71.0 109.92 168.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.62 -53.9 14.1 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.733 0.813 . . . . 73.23 110.05 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . 0.442 ' HG2' HG12 ' A' ' 186' ' ' VAL . 5.6 mm-40 . . . . . 0 C--O 1.253 1.255 0 N-CA-C 108.681 -0.859 . . . . 64.31 108.681 171.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.574 ' HE3' ' HB3' ' A' ' 139' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 107.256 -1.387 . . . . 75.1 107.256 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t -66.77 -45.14 55.17 Favored Pre-proline 0 CA--C 1.564 1.487 0 N-CA-C 109.439 -0.578 . . . . 75.21 109.439 165.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -69.36 159.42 53.79 Favored 'Trans proline' 0 C--N 1.395 2.993 0 C-N-CA 121.87 1.714 . . . . 74.1 111.137 158.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.7 tt -67.39 135.4 93.19 Favored Pre-proline 0 CA--C 1.566 1.578 0 C-N-CA 122.803 0.441 . . . . 73.01 110.649 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.538 ' HG3' ' HA ' ' A' ' 141' ' ' ALA . 98.6 Cg_endo -82.49 139.45 10.22 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 123.684 2.923 . . . . 70.53 111.021 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -178.01 -48.73 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.967 1.307 . . . . 74.32 108.153 -173.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -83.48 31.24 0.52 Allowed 'Trans proline' 0 C--N 1.396 3.03 0 C-N-CA 122.101 1.867 . . . . 71.21 111.893 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.5 m -61.7 -29.08 45.44 Favored 'Isoleucine or valine' 0 C--N 1.359 1.018 0 C-N-CA 124.256 1.022 . . . . 74.25 109.41 171.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 t -93.16 72.18 4.59 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 114.63 -1.168 . . . . 75.1 108.069 166.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -43.01 175.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 125.801 1.64 . . . . 74.22 114.585 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -49.8 139.49 13.12 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 118.505 -0.759 . . . . 73.3 109.919 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -45.52 -34.11 3.09 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 113.457 0.91 . . . . 71.01 113.457 -165.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.09 -57.52 12.49 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.604 0.761 . . . . 72.42 111.274 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -70.24 -33.96 72.27 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.533 0.733 . . . . 74.33 111.608 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -62.19 -53.92 48.33 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.07 0.948 . . . . 75.52 109.447 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' HG2' HG23 ' A' ' 54' ' ' ILE . 55.9 mtt180 -69.61 -23.19 63.48 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.658 0.598 . . . . 75.52 111.755 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -43.96 77.04 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 122.884 0.473 . . . . 74.2 112.156 170.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 31.7 mmt180 -63.01 -41.27 99.52 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 109.56 -0.533 . . . . 75.12 109.56 175.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.786 HG22 HD11 ' A' ' 153' ' ' LEU . 85.8 mt -60.78 -44.13 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 124.615 1.166 . . . . 75.52 110.965 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.41 -43.27 93.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.339 0.656 . . . . 70.13 110.924 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.81 -34.7 75.95 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.715 0.634 . . . . 71.33 110.959 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.462 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 6.5 t-160 -62.38 -55.43 27.97 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.63 1.172 . . . . 73.2 110.164 176.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -61.12 -48.27 82.42 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.894 0.877 . . . . 75.32 109.871 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.37 88.54 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 115.25 -0.887 . . . . 72.45 111.306 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.11 -48.4 81.86 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.016 0.822 . . . . 74.13 110.933 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 65.8 mmtt -71.66 -24.69 61.89 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.393 0.433 . . . . 73.44 111.601 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.599 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -73.0 -47.94 40.7 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.265 0.626 . . . . 71.24 111.262 172.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -80.38 -12.87 59.53 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.981 0.512 . . . . 71.21 111.478 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.459 ' HA ' ' HB2' ' A' ' 33' ' ' HIS . 83.9 t80 -53.88 -51.63 63.07 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.889 0.876 . . . . 70.2 111.781 177.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HA ' ' O ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -86.02 -15.85 40.09 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.851 -0.613 . . . . 73.01 112.453 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.38 -56.91 3.15 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.026 0.53 . . . . 75.41 111.549 -171.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.8 t -116.61 -46.31 2.77 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.166 0.587 . . . . 72.12 111.452 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 29' ' ' PHE . 15.5 m170 -47.63 117.66 1.92 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.771 0.828 . . . . 72.24 111.489 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.1 -19.19 4.56 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.897 1.679 . . . . 72.11 114.054 -175.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -60.52 -34.99 74.91 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.174 0.99 . . . . 74.25 113.343 -175.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.583 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 50.1 m -159.43 103.15 1.5 Allowed Pre-proline 0 CA--C 1.547 0.86 0 N-CA-C 108.433 -0.951 . . . . 75.34 108.433 -174.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -74.89 145.76 32.3 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 122.204 1.936 . . . . 71.23 112.421 170.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 tt -88.55 140.65 29.96 Favored Pre-proline 0 CA--C 1.561 1.371 0 N-CA-C 108.639 -0.874 . . . . 75.53 108.639 173.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.39 147.6 56.12 Favored 'Trans proline' 0 C--N 1.383 2.369 0 C-N-CA 122.594 2.196 . . . . 71.51 112.489 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -61.27 -25.68 80.85 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.853 2.369 . . . . 72.24 112.744 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.85 -49.83 74.68 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.447 0.699 . . . . 64.22 111.105 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -77.51 -27.92 51.93 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.349 0.66 . . . . 73.12 110.422 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -64.35 -29.06 70.15 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.742 -0.663 . . . . 72.04 111.123 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.39 -38.65 91.33 Favored Glycine 0 C--N 1.348 1.245 0 N-CA-C 111.442 -0.663 . . . . 75.15 111.442 170.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.51 1.17 30.52 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.955 0.902 . . . . 75.21 112.841 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -78.96 104.35 9.54 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.468 0.651 . . . . 75.23 110.142 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -115.29 -0.0 13.34 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.448 -0.945 . . . . 75.32 108.448 164.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.14 139.14 4.37 Favored Glycine 0 C--N 1.339 0.712 0 N-CA-C 108.742 -1.743 . . . . 74.11 108.742 -166.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.599 HD21 ' HA ' ' A' ' 27' ' ' ASP . 2.2 mm? -82.36 179.7 7.71 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 109.142 -0.688 . . . . 61.53 109.142 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.414 ' HG3' ' HA ' ' A' ' 186' ' ' VAL . 17.3 mmt180 -72.79 110.38 7.08 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.743 -1.206 . . . . 71.32 107.743 178.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -111.97 112.97 25.0 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.859 -1.163 . . . . 73.14 107.859 -171.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' HA ' ' H ' ' A' ' 184' ' ' GLU . 8.2 m-85 -74.38 125.72 29.12 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.089 -0.96 . . . . 74.11 109.356 -171.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' H ' ' HA2' ' A' ' 183' ' ' GLY . 14.2 t70 -90.78 166.65 12.99 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.15 -0.932 . . . . 73.43 110.352 -166.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.44 HD11 HG21 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -69.4 148.97 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 123.654 0.596 . . . . 75.45 110.553 -169.384 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -163.2 109.48 1.15 Allowed 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.76 0.662 . . . . 61.42 109.593 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.56 -22.84 62.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.482 0.713 . . . . 54.41 111.719 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -82.54 -35.68 27.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.289 0.636 . . . . 73.04 110.45 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -85.94 6.38 28.79 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.578 0.751 . . . . 74.45 111.228 173.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -97.13 100.72 12.2 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 106.108 -1.812 . . . . 74.43 106.108 166.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.1 m -101.36 167.75 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 108.984 -0.747 . . . . 74.14 108.984 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.75 115.42 30.11 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.764 -1.199 . . . . 72.12 107.764 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.32 146.59 34.1 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.651 0.78 . . . . 73.53 109.162 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -74.23 118.99 17.83 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.921 -0.77 . . . . 75.45 108.921 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -78.95 106.23 10.84 Favored 'General case' 0 C--O 1.25 1.101 0 N-CA-C 108.643 -0.873 . . . . 73.14 108.643 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -110.83 97.52 34.0 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 107.843 -1.169 . . . . 65.33 107.843 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.632 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 56.1 Cg_endo -66.67 154.67 73.61 Favored 'Trans proline' 0 C--N 1.362 1.257 0 C-N-CA 122.645 2.23 . . . . 70.51 111.477 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.56 112.49 5.39 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 106.69 -1.596 . . . . 63.11 106.69 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -61.47 -16.28 45.57 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.401 0.68 . . . . 64.31 111.865 -171.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -142.97 90.69 7.41 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 107.662 -1.236 . . . . 74.2 107.662 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -62.73 129.14 25.29 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.692 2.261 . . . . 74.54 112.012 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -138.84 160.01 40.75 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.464 0.305 . . . . 73.11 111.634 -168.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.37 108.07 5.29 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.202 -0.908 . . . . 71.53 111.279 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.4 m -106.51 153.68 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.061 0.945 . . . . 74.44 108.718 172.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.76 127.7 53.61 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.203 0.601 . . . . 73.43 109.522 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.416 HD23 ' HD1' ' A' ' 85' ' ' TYR . 2.6 mm? -110.65 118.23 35.63 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.174 -1.047 . . . . 74.1 108.174 174.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -68.26 150.99 47.59 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.776 -0.824 . . . . 71.02 108.776 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.5 p -127.7 167.32 16.61 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.145 -0.687 . . . . 73.54 109.145 -174.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.414 HG23 HD22 ' A' ' 169' ' ' LEU . 19.3 p -87.75 -27.9 22.07 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.645 0.778 . . . . 72.44 110.791 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -72.14 -31.92 66.43 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.914 0.886 . . . . 75.42 111.628 -175.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.58 -123.31 1.19 Allowed Glycine 0 C--N 1.347 1.16 0 CA-C-O 118.382 -1.232 . . . . 62.53 112.075 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.96 149.69 77.45 Favored 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 123.72 2.947 . . . . 75.14 113.833 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.2 158.69 56.4 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.647 2.231 . . . . 74.32 112.72 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -114.05 124.86 53.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.14 0.976 . . . . 74.33 110.13 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -84.91 126.28 33.36 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.76 0.424 . . . . 75.22 110.915 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.517 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 81.0 m-85 -130.07 148.66 51.94 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.452 -0.944 . . . . 74.14 108.452 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 9.4 m -87.7 114.41 24.28 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 118.274 -0.869 . . . . 73.01 109.304 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -66.52 111.19 3.47 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 119.967 1.258 . . . . 74.5 109.222 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.462 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -97.09 -33.15 11.63 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.522 0.729 . . . . 63.51 111.328 -172.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.632 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -153.93 170.13 21.77 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.48 0.548 . . . . 75.32 112.48 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.474 HG13 HG21 ' A' ' 101' ' ' THR . 0.2 OUTLIER -139.16 124.81 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 N-CA-C 106.298 -1.741 . . . . 72.4 106.298 168.576 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 101' ' ' THR . 2.7 mm? -100.83 121.1 41.12 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.305 0.642 . . . . 75.03 110.516 -173.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.17 117.44 5.87 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 111.679 -0.568 . . . . 71.44 111.679 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.634 ' HE2' ' HB2' ' A' ' 102' ' ' LEU . 48.1 p90 -144.54 -174.11 4.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.773 0.829 . . . . 73.55 109.206 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.46 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 9.1 p-10 -132.25 145.38 51.27 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.883 0.873 . . . . 74.12 109.497 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.481 HD13 HD11 ' A' ' 180' ' ' ILE . 29.1 mt -154.77 129.95 9.62 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.65 1.18 . . . . 74.42 108.907 178.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.07 -107.03 1.77 Allowed Glycine 0 C--N 1.348 1.244 0 O-C-N 123.248 0.343 . . . . 65.03 112.95 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -103.81 -17.96 14.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.096 0.959 . . . . 74.25 111.438 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.6 m -120.51 139.7 52.52 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.457 0.54 . . . . 53.25 112.457 -165.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 9.0 p80 -83.77 129.66 34.94 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 106.809 -1.552 . . . . 74.22 106.809 163.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -133.45 147.96 51.72 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.82 0.448 . . . . 65.23 109.811 -170.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.474 HG21 HG13 ' A' ' 90' ' ' VAL . 2.4 m -121.55 122.23 39.21 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 108.042 -1.096 . . . . 74.21 108.042 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.634 ' HB2' ' HE2' ' A' ' 93' ' ' PHE . 10.2 tp -112.31 127.56 56.03 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.056 0.942 . . . . 74.31 109.136 -165.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.9 m -84.82 122.83 29.71 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.287 0.494 . . . . 64.51 110.535 -170.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.557 ' HA ' HG23 ' A' ' 115' ' ' VAL . . . -103.01 123.4 46.55 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.685 1.194 . . . . 62.53 109.279 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 34.2 m-85 -99.16 171.16 8.18 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 123.653 0.781 . . . . 74.31 109.586 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.612 ' HB3' ' HB ' ' A' ' 86' ' ' THR . 33.0 ttm180 -117.96 125.75 51.01 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 124.41 1.084 . . . . 74.33 108.439 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.633 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 21.4 t -98.78 121.19 49.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 107.752 -1.203 . . . . 71.1 107.752 173.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.29 126.96 29.8 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 123.69 0.619 . . . . 72.35 110.316 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.3 -27.61 8.31 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 116.125 -0.489 . . . . 73.22 113.106 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.633 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 10.7 tp10 -96.78 122.76 40.09 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.333 0.653 . . . . 73.22 109.713 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.1 m -67.58 -17.53 64.66 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.178 0.991 . . . . 74.34 112.851 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' A' ' 135' ' ' ASP . 73.2 m -93.69 147.6 22.88 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.531 0.681 . . . . 52.14 111.417 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 78.9 mt -84.66 132.72 34.45 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.128 1.371 . . . . 75.25 109.974 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.37 112.63 23.1 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.037 -1.098 . . . . 74.3 108.037 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.557 HG23 ' HA ' ' A' ' 104' ' ' ALA . 14.9 t -118.65 86.28 29.12 Favored Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 123.306 0.642 . . . . 72.24 109.437 177.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -75.54 122.57 7.02 Favored 'Trans proline' 0 C--N 1.367 1.545 0 C-N-CA 121.682 1.588 . . . . 75.21 109.01 166.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -140.64 172.96 11.97 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.618 0.367 . . . . 60.01 110.615 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.43 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.9 p -133.83 164.14 27.93 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.56 0.744 . . . . 75.23 109.62 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.426 ' HB3' HD12 ' A' ' 180' ' ' ILE . 1.2 p30 -151.62 -179.27 7.27 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.915 0.886 . . . . 75.2 110.382 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -66.35 -25.9 67.03 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.871 0.367 . . . . 71.34 110.722 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.499 HG23 ' HB ' ' A' ' 181' ' ' THR . 11.2 m -75.47 -28.01 59.08 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.31 1.044 . . . . 74.45 111.224 -176.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.593 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 73.0 p -68.35 -36.8 79.77 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 120.882 0.372 . . . . 74.45 110.133 175.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.81 -34.63 78.24 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.406 -0.815 . . . . 72.34 110.967 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.37 -15.24 58.2 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.219 0.608 . . . . 73.13 110.95 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.48 32.32 25.32 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 116.389 -0.369 . . . . 75.44 113.206 177.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.467 ' HB2' HG22 ' A' ' 121' ' ' THR . 34.2 mmt-85 -104.51 -45.46 4.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.04 -0.726 . . . . 75.05 109.04 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.2 p -101.83 163.42 12.26 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 108.216 -1.031 . . . . 71.43 108.216 161.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -72.99 126.49 30.06 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.421 0.288 . . . . 73.24 111.556 -168.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.593 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 10.2 pt-20 -64.67 -37.73 88.58 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 114.08 1.141 . . . . 55.12 114.08 -168.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -72.68 -9.93 59.2 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.661 0.385 . . . . 74.04 111.77 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.62 168.9 12.92 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 111.458 -0.657 . . . . 74.41 111.458 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -140.19 143.45 36.09 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.472 0.709 . . . . 73.32 109.107 167.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -91.56 137.4 32.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.834 0.454 . . . . 73.43 110.257 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.435 HD23 HG21 ' A' ' 136' ' ' VAL . 2.5 tt -133.61 119.26 19.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.469 -2.049 . . . . 74.53 105.469 168.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.517 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 3.4 p-10 -102.79 110.72 22.74 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.625 0.726 . . . . 72.52 109.261 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.435 HG21 HD23 ' A' ' 134' ' ' LEU . 39.3 t -95.75 134.01 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 114.638 -1.165 . . . . 73.33 110.258 -171.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.53 114.64 49.26 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 108.978 -0.749 . . . . 71.45 108.978 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.56 -34.73 8.93 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.355 2.037 . . . . 74.53 111.763 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.574 ' HB3' ' HE3' ' A' ' 1' ' ' MET . . . 50.36 44.04 26.68 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.233 1.013 . . . . 55.2 112.236 -175.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.8 46.6 54.47 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 115.563 -0.744 . . . . 75.54 114.488 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.538 ' HA ' ' HG3' ' A' ' 5' ' ' PRO . . . -76.21 165.17 25.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.509 0.559 . . . . 72.31 112.509 177.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -141.12 169.83 16.87 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.39 0.676 . . . . 73.25 110.355 -174.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 66' ' ' PRO . . . -60.23 112.6 4.63 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 124.0 0.809 . . . . 74.21 114.183 -173.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 99.73 3.67 56.04 Favored Glycine 0 C--N 1.339 0.701 0 O-C-N 124.17 0.571 . . . . 75.14 113.129 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -84.44 -175.46 5.8 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 108.829 -0.804 . . . . 73.25 108.829 166.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -137.7 150.59 47.45 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.306 0.574 . . . . 75.41 110.97 173.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.78 160.39 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.501 1.12 . . . . 74.41 109.286 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.9 114.93 20.84 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 123.04 0.536 . . . . 74.13 110.69 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.31 87.54 5.67 Favored 'General case' 0 C--O 1.246 0.902 0 C-N-CA 123.917 0.887 . . . . 74.44 109.113 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.506 ' HB3' HD21 ' A' ' 153' ' ' LEU . 4.3 m-20 -74.85 93.81 2.69 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.804 -1.089 . . . . 75.41 109.792 169.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.523 ' HB3' HG22 ' A' ' 180' ' ' ILE . 26.4 m-85 -71.86 -18.61 62.05 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.219 0.608 . . . . 75.12 110.843 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -75.63 -4.56 40.84 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.051 0.94 . . . . 74.21 111.32 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.786 HD11 HG22 ' A' ' 19' ' ' ILE . 4.1 mm? -105.55 5.06 31.06 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.093 0.957 . . . . 73.32 111.592 172.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -81.62 106.1 13.29 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.731 -0.47 . . . . 74.5 109.731 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -100.44 176.71 5.26 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.147 0.979 . . . . 74.43 110.162 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -94.9 151.99 39.33 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 122.977 0.511 . . . . 74.01 110.203 -174.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -59.47 149.07 84.09 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 123.296 2.664 . . . . 74.31 112.957 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -80.53 -18.45 48.44 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.488 -0.778 . . . . 73.31 111.325 -177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 43.6 t -59.35 -23.83 62.85 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.429 0.692 . . . . 73.13 111.323 172.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -56.28 -27.5 55.56 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 123.807 0.843 . . . . 74.11 112.269 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -85.55 19.12 2.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.302 0.641 . . . . 74.34 110.943 -172.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 102.92 -62.11 0.46 Allowed Glycine 0 C--N 1.348 1.215 0 O-C-N 122.282 -0.261 . . . . 71.13 112.78 163.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.55 30.37 2.31 Favored Glycine 0 N--CA 1.47 0.928 0 N-CA-C 113.66 0.224 . . . . 74.41 113.66 -175.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 18.7 t -81.46 -178.84 7.12 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 109.28 -0.637 . . . . 43.55 109.28 168.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -77.56 -174.16 3.27 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 113.23 0.826 . . . . 72.02 113.23 -170.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 93.6 p -67.43 146.15 54.31 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.657 1.183 . . . . 73.32 113.165 -167.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.9 p -118.64 125.29 49.43 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.825 -0.806 . . . . 64.11 108.825 173.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -69.51 106.41 2.98 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.76 0.824 . . . . 72.43 109.646 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.414 HD22 HG23 ' A' ' 78' ' ' THR . 89.7 mt -64.16 127.52 92.04 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.384 0.674 . . . . 74.41 109.547 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.43 ' HG3' HG23 ' A' ' 118' ' ' THR . 20.5 Cg_endo -59.64 140.3 93.04 Favored 'Trans proline' 0 C--N 1.373 1.848 0 C-N-CA 123.179 2.586 . . . . 72.41 112.562 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.42 162.5 23.76 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.046 1.831 . . . . 75.3 111.305 166.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -54.7 -30.68 56.48 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.401 0.68 . . . . 71.51 111.71 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.29 -22.24 66.88 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.619 1.168 . . . . 75.22 112.065 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.497 ' HA ' HD13 ' A' ' 102' ' ' LEU . 3.7 m-20 -102.36 6.02 40.09 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.58 0.752 . . . . 74.13 111.73 -177.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -84.93 102.16 12.91 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.199 -0.667 . . . . 75.54 109.199 171.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 32.3 t -76.49 126.77 85.79 Favored Pre-proline 0 CA--C 1.55 0.947 0 N-CA-C 108.729 -0.841 . . . . 74.12 108.729 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -81.61 32.07 0.52 Allowed 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.046 2.498 . . . . 72.51 112.93 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -134.25 151.88 51.52 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.285 1.034 . . . . 73.52 108.683 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.93 123.16 29.15 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.219 0.608 . . . . 45.45 109.929 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . 0.523 HG22 ' HB3' ' A' ' 151' ' ' PHE . 3.3 mp -114.45 104.35 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 107.253 -1.388 . . . . 75.3 107.253 173.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' THR . . . . . 0.499 ' HB ' HG23 ' A' ' 121' ' ' THR . 1.3 t -132.9 94.94 3.47 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.472 0.653 . . . . 63.12 110.423 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -152.2 115.04 4.61 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 106.599 -1.63 . . . . 73.51 106.599 165.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.459 ' HA3' ' CD2' ' A' ' 52' ' ' PHE . . . 167.69 -156.56 28.31 Favored Glycine 0 N--CA 1.446 -0.656 0 O-C-N 123.749 0.655 . . . . 71.23 111.786 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.504 ' H ' ' HA ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -85.82 148.26 25.91 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 107.328 -1.36 . . . . 75.51 107.328 157.138 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -60.55 154.41 21.06 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.351 0.661 . . . . 74.54 109.744 172.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.414 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 99.1 t -101.82 138.91 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 107.723 -1.214 . . . . 75.54 107.723 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -44.05 107.04 0.08 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.934 1.294 . . . . 62.34 113.065 -170.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -58.73 -10.71 2.5 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.389 1.076 . . . . 74.22 113.25 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.39 -41.84 84.31 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.398 0.679 . . . . 63.23 110.334 169.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.14 -44.76 10.09 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.689 0.795 . . . . 74.01 110.513 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 . . . . . 0 C--O 1.249 1.069 0 C-N-CA 124.38 1.072 . . . . 63.4 110.206 177.229 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.559 ' HB2' ' HA3' ' A' ' 140' ' ' GLY . 27.0 ttt . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 109.345 -0.613 . . . . 72.02 109.345 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.428 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 31.0 m -73.78 -51.16 5.31 Favored Pre-proline 0 CA--C 1.562 1.43 0 CA-C-O 118.75 -0.643 . . . . 65.11 109.698 172.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' A' ' 2' ' ' SER . 47.7 Cg_endo -95.5 -177.75 0.44 Allowed 'Trans proline' 0 C--N 1.398 3.167 0 C-N-CA 122.472 2.114 . . . . 75.2 110.457 159.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.435 HG13 ' HD2' ' A' ' 5' ' ' PRO . 2.8 tp -77.99 140.1 61.94 Favored Pre-proline 0 CA--C 1.562 1.43 0 N-CA-C 107.296 -1.372 . . . . 75.54 107.296 169.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.435 ' HD2' HG13 ' A' ' 4' ' ' ILE . 57.0 Cg_endo -72.11 128.28 13.74 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 121.358 1.372 . . . . 73.3 110.882 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mt 179.6 -53.28 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 125.555 1.542 . . . . 64.01 107.85 -176.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -81.12 37.35 0.68 Allowed 'Trans proline' 0 C--N 1.405 3.531 0 C-N-CA 122.16 1.906 . . . . 72.01 112.423 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 137' ' ' ASP . 32.9 m -64.93 -32.21 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 N-CA-C 108.424 -0.954 . . . . 74.33 108.424 164.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -93.27 97.56 10.7 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 105.435 -2.061 . . . . 75.43 105.435 159.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -83.34 -164.23 0.86 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.664 -1.273 . . . . 65.53 111.475 -164.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t -48.03 122.86 5.52 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.726 1.21 . . . . 74.01 110.522 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.51 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 4.9 p-10 -56.71 -22.67 36.77 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 115.11 1.522 . . . . 72.13 115.11 -160.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -68.63 -50.45 51.26 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.22 0.464 . . . . 74.41 110.95 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.27 -23.59 51.17 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.132 0.573 . . . . 65.01 111.04 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.559 ' O ' HG13 ' A' ' 19' ' ' ILE . 27.7 t90 -69.92 -46.01 66.29 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 108.963 -0.754 . . . . 73.35 108.963 173.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -69.48 -30.95 68.95 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.037 0.535 . . . . 74.43 110.714 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.98 89.43 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.116 0.566 . . . . 75.33 110.771 168.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -64.69 -38.96 92.77 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 122.952 0.501 . . . . 63.4 110.724 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 15' ' ' TRP . 27.9 mt -65.03 -49.95 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 109.493 -0.558 . . . . 71.44 109.493 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.45 94.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.679 -1.146 . . . . 75.24 111.24 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.89 50.9 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.49 0.716 . . . . 64.21 112.03 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -62.47 -47.47 83.89 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.574 0.75 . . . . 74.54 109.227 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -61.35 -45.27 95.09 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.852 0.72 . . . . 75.5 110.379 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.8 -42.05 88.17 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.706 0.629 . . . . 75.54 110.577 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.79 -50.53 66.4 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 124.299 0.999 . . . . 63.34 110.073 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 16.0 mmmt -72.96 -17.74 61.44 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 123.518 0.511 . . . . 70.15 111.192 -174.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -80.73 -48.65 12.24 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.116 0.966 . . . . 74.4 109.929 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.74 -15.25 58.67 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.605 -0.725 . . . . 70.24 110.449 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -50.35 -53.47 28.75 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.188 1.395 . . . . 71.25 112.161 -176.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.672 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -82.52 -17.43 45.05 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.389 -0.823 . . . . 72.12 111.331 -174.279 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.05 -32.35 21.46 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.293 0.637 . . . . 72.12 111.424 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.1 p -126.57 -60.08 1.26 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.092 0.557 . . . . 75.52 111.704 -176.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -55.77 124.08 16.32 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 123.942 0.776 . . . . 72.3 111.21 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.29 -17.76 64.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.574 1.15 . . . . 73.54 113.082 -168.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.24 -27.5 69.39 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.503 0.927 . . . . 74.44 113.503 -171.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.2 m -155.9 76.01 4.84 Favored Pre-proline 0 N--CA 1.483 1.179 0 O-C-N 121.969 -0.457 . . . . 62.0 110.064 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -65.14 130.4 25.52 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.562 2.175 . . . . 74.11 112.725 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.672 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 17.3 tt -72.56 144.78 86.68 Favored Pre-proline 0 N--CA 1.488 1.465 0 C-N-CA 124.814 1.246 . . . . 74.04 109.406 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -36.87 124.77 0.42 Allowed 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 123.576 2.851 . . . . 74.43 113.906 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.53 -28.62 65.62 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.745 2.963 . . . . 74.44 114.271 -171.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.73 92.92 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.852 0.461 . . . . 74.41 111.0 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -76.51 -37.09 57.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.197 0.599 . . . . 62.42 109.923 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.486 ' HB2' HG23 ' A' ' 38' ' ' ILE . 76.3 ttt180 -64.19 -31.26 72.39 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.459 0.704 . . . . 74.41 111.706 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.3 -44.95 96.94 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 112.241 -0.344 . . . . 62.34 112.241 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.63 22.38 3.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.904 0.881 . . . . 73.3 112.009 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.31 124.96 29.79 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 109.436 -0.579 . . . . 72.11 109.436 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -124.53 -32.01 3.18 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.372 1.069 . . . . 64.41 108.66 166.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.26 117.8 0.84 Allowed Glycine 0 C--N 1.338 0.676 0 N-CA-C 108.773 -1.731 . . . . 61.45 108.773 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.78 -175.93 1.21 Allowed 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.653 0.74 . . . . 73.0 111.622 -174.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.407 ' HG3' ' HD2' ' A' ' 185' ' ' ARG . 0.0 OUTLIER -101.04 153.53 19.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.205 -0.907 . . . . 75.42 110.326 -168.535 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -153.39 128.64 9.79 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.865 0.866 . . . . 65.24 109.034 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -58.9 153.63 16.88 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.418 0.687 . . . . 65.05 111.674 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -74.29 158.69 33.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.216 0.606 . . . . 62.21 111.205 -176.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.499 HD11 HG22 ' A' ' 19' ' ' ILE . 13.4 mm -71.28 114.56 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.273 -0.876 . . . . 75.13 110.482 -170.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -115.12 113.96 24.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.355 0.662 . . . . 70.23 109.229 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.57 -6.37 43.59 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.785 0.834 . . . . 74.43 110.878 171.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.5 m -65.87 -36.82 84.5 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.537 1.135 . . . . 75.12 111.294 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.568 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 89.9 m-85 -85.13 7.31 22.17 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.011 0.924 . . . . 74.41 112.39 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 55.8 ttp180 -96.93 93.3 6.55 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.344 -0.984 . . . . 74.24 108.344 178.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.01 161.54 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 109.593 -0.521 . . . . 74.13 109.593 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.33 127.77 46.55 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.157 -1.053 . . . . 74.14 108.157 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.52 137.99 52.19 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.138 0.975 . . . . 64.34 109.277 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 92' ' ' GLY . 8.5 ptp85 -75.25 125.17 28.41 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 109.416 -0.586 . . . . 75.23 109.416 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -85.96 127.85 34.72 Favored 'General case' 0 C--O 1.251 1.147 0 C-N-CA 124.572 1.149 . . . . 73.15 109.273 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 24.2 tt0 -132.99 109.81 12.91 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 108.418 -0.956 . . . . 73.22 108.418 169.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.68 149.74 83.79 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.105 1.87 . . . . 74.44 110.201 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 110.99 2.48 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.515 -0.55 . . . . 74.24 109.515 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -56.65 -23.17 39.59 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.829 0.852 . . . . 73.14 112.644 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -141.56 97.72 6.63 Favored Pre-proline 0 CA--C 1.547 0.838 0 N-CA-C 109.037 -0.727 . . . . 55.01 109.037 163.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -66.11 121.25 8.53 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.373 2.048 . . . . 71.44 111.012 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -129.23 145.33 51.36 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.472 0.709 . . . . 74.53 110.722 -172.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.28 108.38 15.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.608 0.763 . . . . 73.51 109.643 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 19.5 m -106.78 160.39 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.517 1.127 . . . . 75.34 109.712 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -108.19 113.15 26.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.228 0.611 . . . . 73.02 109.411 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -98.91 128.0 44.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.101 -1.444 . . . . 73.14 107.101 174.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -60.8 144.21 53.02 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.122 -0.696 . . . . 72.51 109.122 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.4 p -116.62 164.28 14.84 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 118.388 0.54 . . . . 72.42 110.459 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.1 p -82.0 -23.96 35.7 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.939 0.896 . . . . 74.22 110.701 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -73.1 -31.07 64.1 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.443 0.697 . . . . 73.25 111.796 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.58 -121.4 1.28 Allowed Glycine 0 C--N 1.342 0.881 0 CA-C-O 118.62 -1.1 . . . . 74.35 111.558 -173.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -52.26 141.86 48.19 Favored 'Trans proline' 0 C--N 1.385 2.49 0 C-N-CA 124.144 3.229 . . . . 75.32 113.676 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.65 149.55 89.39 Favored 'Trans proline' 0 C--N 1.384 2.423 0 C-N-CA 123.001 2.468 . . . . 72.43 112.975 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.97 138.3 43.39 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.327 1.051 . . . . 71.22 109.956 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 9.5 pt-20 -85.18 124.02 31.35 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.626 0.579 . . . . 72.42 110.312 177.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.517 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.4 m-85 -128.95 134.36 48.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.346 1.058 . . . . 75.45 108.985 174.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.5 m -85.04 129.85 34.72 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.204 -0.665 . . . . 74.21 109.204 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -68.28 110.18 3.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.964 0.505 . . . . 63.42 109.869 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.41 -50.93 8.87 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 123.419 0.688 . . . . 70.21 111.067 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.87 175.58 13.76 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.88 -1.054 . . . . 73.2 110.48 -172.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.3 t -135.98 124.01 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 125.751 1.62 . . . . 72.53 107.027 172.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.73 135.26 44.7 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.894 0.877 . . . . 74.31 109.709 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.426 ' O ' ' HG2' ' A' ' 63' ' ' ARG . . . -120.55 139.46 13.6 Favored Glycine 0 N--CA 1.469 0.856 0 N-CA-C 110.884 -0.886 . . . . 72.53 110.884 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.403 ' HE2' HD12 ' A' ' 95' ' ' LEU . 25.8 p90 -163.73 156.19 17.71 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.786 0.793 . . . . 74.15 110.117 -175.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -93.44 158.31 15.78 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 109.426 -0.583 . . . . 74.51 109.426 172.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.403 HD12 ' HE2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -163.65 132.03 3.72 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 106.254 -1.758 . . . . 74.13 106.254 178.655 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.92 -101.63 1.58 Allowed Glycine 0 C--N 1.351 1.376 0 N-CA-C 111.215 -0.754 . . . . 62.45 111.215 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -131.86 7.21 4.37 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.278 1.031 . . . . 63.12 109.488 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 m -131.84 151.68 51.52 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 121.194 0.521 . . . . 73.31 112.179 -163.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -90.64 138.53 31.5 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.106 -0.952 . . . . 75.15 109.024 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -137.12 137.58 39.41 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.639 1.175 . . . . 72.33 109.314 -171.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.4 m -129.11 121.87 28.7 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.106 0.562 . . . . 44.53 109.52 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.423 ' HA ' ' ND2' ' A' ' 174' ' ' ASN . 6.1 mp -113.44 143.65 44.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.101 1.36 . . . . 74.22 109.093 -176.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.7 m -97.22 132.48 42.94 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 121.057 0.456 . . . . 62.21 109.939 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.93 126.53 47.57 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.739 1.215 . . . . 71.32 108.763 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 52.0 m-85 -101.75 168.4 9.47 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 123.81 0.844 . . . . 73.3 109.627 175.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.457 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 39.4 ttm180 -113.09 117.55 32.28 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.47 1.108 . . . . 70.23 108.786 -172.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -103.58 108.4 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.811 -1.551 . . . . 74.52 106.811 171.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -72.06 150.25 44.11 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.035 0.445 . . . . 73.43 110.414 -177.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.75 -38.35 3.12 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 114.752 -1.113 . . . . 70.21 111.769 -167.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.57 124.57 35.84 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.899 1.28 . . . . 72.12 109.485 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.9 t -75.14 -13.38 60.46 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.11 0.964 . . . . 63.54 112.539 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.2 m -92.68 140.85 29.1 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.542 0.737 . . . . 75.24 109.758 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.49 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 64.8 mt -81.58 146.34 30.17 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.984 0.914 . . . . 74.54 109.661 177.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.84 103.25 13.42 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.103 0.961 . . . . 72.34 108.449 -176.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.72 100.53 14.65 Favored Pre-proline 0 N--CA 1.473 0.695 0 N-CA-C 109.218 -0.66 . . . . 74.31 109.218 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -88.33 132.39 2.64 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 123.004 2.469 . . . . 74.42 110.963 172.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -155.69 168.81 25.97 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.833 0.853 . . . . 74.24 110.049 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.8 p -131.71 167.1 20.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.055 0.942 . . . . 70.42 108.615 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 1.9 p30 -147.56 -167.95 2.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.638 0.775 . . . . 64.42 110.303 -177.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.69 -33.5 53.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.776 0.43 . . . . 75.33 111.217 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.2 m -69.98 -32.26 70.38 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 123.756 0.823 . . . . 74.22 110.291 -175.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.1 p -68.5 -35.04 76.95 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.674 0.79 . . . . 64.45 111.501 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.36 -37.25 82.68 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.417 0.687 . . . . 71.2 111.807 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -67.54 -13.02 61.69 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.265 0.626 . . . . 74.13 111.968 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.63 18.83 80.03 Favored Glycine 0 C--N 1.344 0.981 0 O-C-N 123.271 0.357 . . . . 61.33 113.628 -176.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -101.11 -20.53 15.29 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.283 0.633 . . . . 74.5 109.989 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 19.1 p -122.2 -179.29 4.12 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 109.011 -0.737 . . . . 74.03 109.011 159.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.537 ' HH ' ' HB3' ' A' ' 184' ' ' GLU . 0.5 OUTLIER -66.05 101.9 0.74 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.597 1.159 . . . . 75.22 111.384 -162.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -63.75 -31.24 72.35 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.72 0.408 . . . . 63.23 111.537 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -75.22 -14.23 60.51 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.368 0.667 . . . . 72.32 111.718 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 133.33 153.15 7.05 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 112.031 -0.428 . . . . 61.51 112.031 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -116.48 140.59 49.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.22 -1.4 . . . . 74.04 107.22 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.563 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 97.3 m-85 -103.2 168.77 8.96 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 118.502 0.592 . . . . 74.02 110.446 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.456 HD13 HD22 ' A' ' 149' ' ' LEU . 0.8 OUTLIER -143.64 130.78 20.69 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 107.88 -1.156 . . . . 64.41 107.88 169.59 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -95.07 100.67 12.46 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 107.635 -1.246 . . . . 74.53 107.635 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.9 t -109.47 117.03 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 115.422 -0.808 . . . . 74.33 109.414 -169.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.468 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 30.7 t70 -80.22 118.44 72.41 Favored Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 108.179 -1.045 . . . . 71.2 108.179 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.49 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 41.5 Cg_endo -66.09 -32.91 42.54 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.22 1.947 . . . . 74.11 111.86 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.32 40.59 26.68 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.228 1.011 . . . . 74.34 112.069 -175.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.559 ' HA3' ' HB2' ' A' ' 1' ' ' MET . . . 51.98 43.91 55.84 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 116.137 -0.483 . . . . 75.42 114.197 -173.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.41 161.08 28.97 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.148 0.579 . . . . 73.43 111.773 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -129.62 166.53 19.56 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.867 1.267 . . . . 75.11 108.782 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 65' ' ' GLN . . . -60.35 114.56 6.6 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 111.725 -0.55 . . . . 75.54 111.725 177.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 115.85 -16.47 16.05 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-O 119.669 -0.517 . . . . 74.45 112.416 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -78.54 -174.39 3.81 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 117.514 0.657 . . . . 64.21 109.913 173.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -135.69 154.09 51.39 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.173 0.589 . . . . 73.43 110.105 173.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 20.4 m -137.54 153.53 28.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 125.604 1.562 . . . . 73.11 107.403 173.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.55 129.02 34.26 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.504 0.322 . . . . 73.32 111.324 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.456 HD22 HD13 ' A' ' 134' ' ' LEU . 15.6 mt -104.67 87.43 2.68 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 124.455 1.102 . . . . 73.13 108.611 168.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.497 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 5.1 p30 -94.18 102.34 14.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.609 -1.178 . . . . 73.51 109.519 176.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.568 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 26.7 m-85 -70.52 -16.39 62.89 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 114.882 -1.054 . . . . 75.12 111.641 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . 0.435 HD21 HD21 ' A' ' 153' ' ' LEU . 9.4 t30 -62.4 -38.45 89.7 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.136 0.575 . . . . 72.33 110.212 172.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.435 HD21 HD21 ' A' ' 152' ' ' ASN . 4.3 mm? -79.15 -6.23 56.03 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.049 0.94 . . . . 75.33 112.301 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.4 140.15 1.76 Allowed 'General case' 0 N--CA 1.48 1.036 0 O-C-N 124.879 1.362 . . . . 43.33 113.522 -171.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.563 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 88.4 t80 -96.2 138.66 33.48 Favored 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.192 -0.913 . . . . 74.35 109.27 -170.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -98.27 121.45 56.95 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 113.868 -1.514 . . . . 73.33 110.824 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . 0.448 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 47.4 Cg_endo -67.34 137.98 45.11 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.378 2.052 . . . . 72.43 110.372 164.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -80.59 -3.19 49.41 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.384 0.673 . . . . 74.25 112.639 -174.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 157' ' ' PRO . 25.6 p -62.44 -30.99 71.63 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 123.879 0.737 . . . . 74.23 110.075 169.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.684 ' HA ' ' HB2' ' A' ' 191' ' ' GLU . . . -66.8 -23.73 66.09 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 123.982 0.913 . . . . 72.11 112.549 177.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -92.45 1.62 57.14 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.282 1.033 . . . . 63.1 111.206 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.56 -32.71 6.69 Favored Glycine 0 C--N 1.353 1.512 0 N-CA-C 112.445 -0.262 . . . . 61.13 112.445 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -62.42 116.05 8.84 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 111.48 -0.648 . . . . 64.32 111.48 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 19.8 m -96.01 79.48 3.24 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.462 0.649 . . . . 71.41 109.359 -166.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -114.15 178.47 4.27 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 115.312 -0.858 . . . . 73.23 110.34 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 36.3 p -69.98 103.64 2.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.724 0.809 . . . . 72.03 111.976 -173.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 24.5 t -111.48 114.39 27.46 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.776 -1.194 . . . . 74.3 107.776 169.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.23 106.05 4.9 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.817 0.847 . . . . 75.04 109.817 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 57.8 mt -57.91 128.91 81.58 Favored Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 124.398 1.079 . . . . 74.22 109.837 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.92 158.36 57.69 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.878 2.386 . . . . 75.25 112.931 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -62.73 148.73 93.02 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.639 2.226 . . . . 71.3 112.234 167.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -57.05 -29.19 63.21 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.78 1.232 . . . . 71.01 113.191 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.29 -22.46 64.72 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.406 0.682 . . . . 74.45 111.341 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 102' ' ' LEU . 10.1 m120 -95.45 18.79 11.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.563 0.697 . . . . 74.24 110.347 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -86.72 109.01 18.93 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 107.316 -1.364 . . . . 72.1 107.316 169.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 58.1 t -87.47 112.31 47.42 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 124.685 1.194 . . . . 72.2 108.755 176.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -65.99 71.62 0.37 Allowed 'Trans proline' 0 C--N 1.371 1.758 0 C-N-CA 122.609 2.206 . . . . 73.01 112.414 166.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -155.21 148.77 25.22 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.338 1.455 . . . . 61.11 108.225 175.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -87.6 114.35 24.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.241 0.616 . . . . 74.3 109.645 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . 0.423 HG23 ' HB3' ' A' ' 151' ' ' PHE . 2.9 mp -107.06 96.15 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 N-CA-C 108.244 -1.021 . . . . 74.42 108.244 174.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 24.3 p -97.14 79.05 2.8 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.667 0.787 . . . . 73.45 109.961 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -163.22 116.39 1.57 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.388 1.075 . . . . 61.44 108.465 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 168.32 -159.29 32.42 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 112.065 -0.414 . . . . 71.3 112.065 176.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.537 ' HB3' ' HH ' ' A' ' 128' ' ' TYR . 8.3 tp10 -65.53 143.55 57.58 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.864 0.865 . . . . 73.41 108.668 156.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . 0.407 ' HD2' ' HG3' ' A' ' 50' ' ' ARG . 44.2 mtt180 -81.39 129.12 34.5 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 108.087 -1.079 . . . . 64.34 108.087 174.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.9 151.14 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.547 0.739 . . . . 75.42 109.658 -165.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . 0.548 ' HB2' ' HB2' ' A' ' 190' ' ' LEU . 10.1 m-20 -113.46 142.03 46.4 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.423 1.089 . . . . 73.44 109.968 -176.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -69.53 -19.94 63.7 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 121.089 0.471 . . . . 74.53 110.535 164.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.63 -46.15 66.85 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.523 1.129 . . . . 71.53 110.606 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.548 ' HB2' ' HB2' ' A' ' 187' ' ' ASP . 4.2 mm? -82.15 -45.74 14.74 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 114.765 -1.107 . . . . 75.0 110.21 -176.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . 0.684 ' HB2' ' HA ' ' A' ' 160' ' ' ALA . 16.7 tp10 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 113.478 -1.692 . . . . 72.11 110.15 -163.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.29 -0.633 . . . . 73.24 109.29 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -42.15 77.44 Favored Pre-proline 0 CA--C 1.565 1.549 0 C-N-CA 122.846 0.458 . . . . 71.03 110.646 171.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -70.02 147.73 61.83 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 121.521 1.481 . . . . 73.33 112.091 156.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 tt -70.56 143.14 89.71 Favored Pre-proline 0 CA--C 1.57 1.748 0 C-N-CA 123.479 0.712 . . . . 72.44 109.421 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -77.83 126.47 8.06 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.188 1.926 . . . . 72.45 110.051 170.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -177.34 -54.94 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 126.384 1.873 . . . . 74.13 107.538 -171.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -84.52 35.98 0.56 Allowed 'Trans proline' 0 C--N 1.393 2.918 0 C-N-CA 122.285 1.99 . . . . 74.54 112.142 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 m -73.15 67.15 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 CA-C-O 123.877 1.799 . . . . 72.24 110.262 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t 171.52 103.69 0.01 OUTLIER 'General case' 0 C--O 1.241 0.655 0 CA-C-N 110.321 -3.127 . . . . 73.02 108.104 -173.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -40.91 148.04 0.11 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.792 0.837 . . . . 74.15 112.693 161.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 t -45.68 138.42 4.64 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 123.856 0.862 . . . . 74.12 110.183 171.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -49.78 -30.85 10.33 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 115.921 1.823 . . . . 70.43 115.921 -157.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -73.94 -43.33 58.64 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.695 0.398 . . . . 74.13 110.261 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -30.94 68.95 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.685 0.794 . . . . 61.53 110.965 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.544 ' O ' HG13 ' A' ' 19' ' ' ILE . 39.4 t90 -67.65 -50.21 59.03 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.753 0.821 . . . . 72.24 109.415 176.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.5 ttp85 -63.26 -35.87 81.78 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.921 0.488 . . . . 74.33 110.228 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.64 88.26 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.677 0.791 . . . . 63.34 111.248 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -66.34 -32.75 74.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.576 0.75 . . . . 75.42 111.208 174.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 15' ' ' TRP . 46.4 mt -73.76 -43.34 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 122.571 0.348 . . . . 74.2 110.674 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.17 -32.95 74.9 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.781 0.676 . . . . 75.54 110.655 173.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.01 -36.28 69.66 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.261 0.624 . . . . 74.33 111.109 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 8.1 m80 -71.82 -32.4 67.53 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.383 0.673 . . . . 65.31 110.172 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -67.34 -50.53 59.6 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.852 -0.796 . . . . 73.51 108.852 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.21 91.05 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.647 1.217 . . . . 74.44 111.063 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.44 -58.99 5.86 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.488 1.115 . . . . 74.42 111.441 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 63.5 mmtt -61.28 -43.1 99.43 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.197 0.311 . . . . 65.14 110.235 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -50.41 -55.26 16.57 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.638 1.175 . . . . 64.22 111.293 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -77.52 -27.61 51.76 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.527 -0.76 . . . . 75.1 111.229 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -56.91 -69.43 0.16 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 124.024 0.93 . . . . 75.12 111.2 -173.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.507 HD23 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.22 -10.18 59.5 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.191 0.441 . . . . 75.05 112.191 -177.572 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.46 -26.81 26.09 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 122.747 0.419 . . . . 64.3 111.206 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -113.52 -53.01 2.73 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 112.535 0.569 . . . . 61.23 112.535 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 135.87 57.79 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.471 0.708 . . . . 74.04 111.794 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.55 -16.95 37.74 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.538 0.94 . . . . 72.41 113.538 -173.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -69.92 -30.91 68.43 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 112.604 0.594 . . . . 74.32 112.604 -172.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.3 m -157.21 68.12 4.17 Favored Pre-proline 0 N--CA 1.486 1.372 0 N-CA-C 108.156 -1.053 . . . . 75.14 108.156 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -90.18 169.35 4.24 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 123.405 2.737 . . . . 65.25 113.264 -176.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.6 mt -73.01 135.86 80.02 Favored Pre-proline 0 CA--C 1.554 1.1 0 N-CA-C 108.482 -0.933 . . . . 74.13 108.482 169.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.485 ' HG3' ' HE1' ' A' ' 165' ' ' PHE . 21.3 Cg_exo -63.64 146.4 92.39 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.145 1.896 . . . . 74.12 111.242 172.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 21.0 Cg_endo -55.92 -22.58 38.78 Favored 'Trans proline' 0 C--N 1.383 2.387 0 C-N-CA 124.113 3.209 . . . . 74.42 115.437 -167.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.41 81.85 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.458 0.703 . . . . 74.12 112.562 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -89.87 -29.35 18.63 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.915 0.486 . . . . 74.43 110.544 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.436 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 48.8 ttt180 -66.19 -31.23 71.94 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.679 0.792 . . . . 71.51 111.85 -177.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.13 -41.84 78.9 Favored Glycine 0 C--N 1.347 1.186 0 N-CA-C 111.848 -0.501 . . . . 74.32 111.848 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.51 22.02 2.34 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.937 0.895 . . . . 74.14 112.19 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -82.8 113.16 20.25 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.186 0.594 . . . . 75.33 109.787 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -113.61 -11.43 13.0 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.243 0.617 . . . . 75.14 110.56 172.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.03 132.24 1.73 Allowed Glycine 0 C--N 1.344 0.985 0 N-CA-C 111.422 -0.671 . . . . 74.11 111.422 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.507 HD11 HD23 ' A' ' 30' ' ' LEU . 29.1 mt -62.6 140.9 58.68 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.828 0.37 . . . . 75.32 110.435 173.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' HB2' ' HA ' ' A' ' 184' ' ' GLU . 6.5 mmt180 -72.67 140.81 48.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.226 -0.897 . . . . 75.51 108.749 -169.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -142.89 142.2 31.7 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.712 -0.477 . . . . 73.04 109.712 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -88.24 169.0 12.24 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 108.335 -0.987 . . . . 73.4 108.335 169.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.9 137.96 52.06 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.565 -0.902 . . . . 74.0 108.565 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.3 mp -60.13 124.74 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 124.396 1.06 . . . . 74.54 109.906 -172.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -131.76 125.0 30.87 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.221 0.608 . . . . 74.23 110.12 -174.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.42 -19.22 50.52 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.129 0.972 . . . . 74.23 112.757 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 t -74.47 -23.47 58.88 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.884 0.474 . . . . 74.15 110.554 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 47.8 m-85 -74.39 -0.1 16.19 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 112.395 0.516 . . . . 74.11 112.395 172.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.478 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 41.1 ttp180 -98.0 104.69 16.74 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.923 0.783 . . . . 63.55 109.465 171.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.5 m -100.68 151.74 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 109.869 -0.419 . . . . 65.11 109.869 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.85 117.86 28.14 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.204 -1.036 . . . . 44.43 108.204 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 91' ' ' LEU . . . -112.26 128.65 56.32 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.615 0.766 . . . . 64.51 110.279 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -77.08 115.39 16.83 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.524 -0.917 . . . . 74.22 108.524 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -79.12 112.61 16.5 Favored 'General case' 0 C--O 1.254 1.298 0 C-N-CA 124.217 1.007 . . . . 74.01 109.447 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -112.47 104.03 55.75 Favored Pre-proline 0 CA--C 1.543 0.687 0 N-CA-C 107.965 -1.124 . . . . 75.53 107.965 172.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.91 137.48 81.18 Favored 'Trans proline' 0 C--N 1.372 1.776 0 C-N-CA 122.552 2.168 . . . . 73.44 111.171 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.57 98.57 0.52 Allowed 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.309 -0.997 . . . . 72.13 108.309 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -52.86 -32.99 47.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.957 1.303 . . . . 75.44 110.655 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -109.97 91.79 11.66 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.691 1.197 . . . . 75.4 109.153 169.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -83.23 120.72 2.96 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.019 1.813 . . . . 74.13 111.108 174.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.553 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 15.1 pt-20 -137.85 151.05 47.68 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.73 0.412 . . . . 70.01 110.783 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -80.72 109.57 15.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.817 0.847 . . . . 72.34 108.996 173.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 34.9 m -104.99 157.62 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.818 0.847 . . . . 71.41 109.845 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -98.42 109.41 22.17 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.655 0.782 . . . . 75.51 109.66 -176.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -102.64 117.54 34.9 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 106.85 -1.537 . . . . 71.45 106.85 174.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.13 160.8 14.6 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.039 0.536 . . . . 74.3 110.392 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.2 p -125.79 154.68 42.23 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.634 -0.506 . . . . 74.04 109.634 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.476 HG22 HD22 ' A' ' 169' ' ' LEU . 23.8 p -68.64 -30.05 68.67 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 115.725 -0.67 . . . . 70.24 109.756 175.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -75.46 -18.27 59.91 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.854 1.262 . . . . 74.42 112.062 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 142.55 -120.03 1.51 Allowed Glycine 0 C--N 1.353 1.485 0 CA-C-O 119.036 -0.869 . . . . 73.01 113.524 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -58.78 146.62 92.0 Favored 'Trans proline' 0 C--N 1.385 2.451 0 C-N-CA 123.846 3.031 . . . . 74.51 113.77 -171.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.55 164.9 32.59 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.914 2.409 . . . . 73.31 113.444 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.87 140.33 53.09 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.907 0.883 . . . . 71.21 110.247 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.547 ' HB2' ' HB1' ' A' ' 72' ' ' ALA . 9.4 pt-20 -84.05 122.03 28.23 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.073 0.549 . . . . 74.23 110.859 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.559 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 20.0 m-85 -124.92 133.89 52.87 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 108.273 -1.01 . . . . 75.4 108.273 173.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.7 m -79.41 146.85 32.58 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.087 -0.709 . . . . 75.44 109.087 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.553 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 24.3 mtm180 -80.97 109.39 15.5 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.342 0.519 . . . . 75.13 110.088 175.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' ' 106' ' ' ARG . . . -83.11 -51.76 7.23 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.639 0.775 . . . . 70.53 111.092 178.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.7 176.37 11.6 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.075 -0.966 . . . . 75.32 111.146 -169.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.3 t -134.96 117.05 21.45 Favored 'Isoleucine or valine' 0 C--O 1.248 1.026 0 N-CA-C 106.104 -1.813 . . . . 75.23 106.104 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . 3.1 mm? -89.67 116.38 27.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.671 0.789 . . . . 75.41 109.492 178.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.14 120.03 6.22 Favored Glycine 0 C--N 1.341 0.838 0 N-CA-C 110.048 -1.221 . . . . 51.11 110.048 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.42 ' HE1' ' HG ' ' A' ' 102' ' ' LEU . 26.8 p90 -150.09 -174.67 4.79 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.228 0.611 . . . . 74.33 109.363 -171.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -129.17 152.46 48.73 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.077 0.551 . . . . 73.32 109.623 170.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.496 HD23 HG13 ' A' ' 176' ' ' VAL . 33.3 tp -167.96 140.33 3.08 Favored 'General case' 0 C--O 1.252 1.197 0 N-CA-C 108.016 -1.105 . . . . 75.35 108.016 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.34 -101.92 1.54 Allowed Glycine 0 C--N 1.343 0.953 0 N-CA-C 110.889 -0.884 . . . . 61.21 110.889 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -133.62 3.51 3.56 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.399 1.08 . . . . 72.52 109.609 170.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.7 m -112.73 134.19 54.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.624 0.369 . . . . 61.11 111.547 -171.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -85.71 110.53 19.38 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 106.657 -1.609 . . . . 72.42 106.657 166.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -128.68 157.84 40.24 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.807 0.443 . . . . 74.31 109.906 -166.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 36.0 p -117.89 144.19 45.65 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.984 0.514 . . . . 73.51 110.536 174.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.42 ' HG ' ' HE1' ' A' ' 93' ' ' PHE . 88.8 mt -122.44 128.98 51.57 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.017 -1.105 . . . . 70.12 108.017 169.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.6 m -80.61 128.51 33.69 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.191 -0.67 . . . . 72.02 109.191 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.87 124.31 37.8 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.065 -1.087 . . . . 73.32 108.065 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.559 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 60.9 m-85 -101.53 135.51 42.92 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.05 0.54 . . . . 71.35 110.674 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.569 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 43.1 ttm180 -91.24 130.18 37.14 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.044 -1.095 . . . . 75.0 108.044 175.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 47.2 t -110.48 128.46 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 108.153 -1.054 . . . . 64.35 108.153 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.82 133.07 55.75 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.477 0.711 . . . . 75.45 110.486 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 84.67 -38.43 2.93 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-N 116.404 -0.362 . . . . 75.34 113.418 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.538 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 11.5 tp10 -85.96 119.59 26.43 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.772 0.829 . . . . 70.43 110.055 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.1 m -71.12 -24.73 62.34 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.866 0.866 . . . . 72.41 112.013 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 m -89.58 151.66 21.81 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.971 0.508 . . . . 64.41 110.624 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 75.8 mt -91.19 132.64 35.96 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.943 0.897 . . . . 75.31 110.002 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -91.78 104.35 16.81 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 107.368 -1.345 . . . . 72.02 107.368 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.9 t -102.34 95.13 5.53 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 108.077 -1.083 . . . . 72.35 108.077 176.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -82.82 132.01 6.33 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.316 2.011 . . . . 75.11 110.385 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.404 ' CZ ' ' HD2' ' A' ' 132' ' ' ARG . 29.2 p90 -153.08 159.79 42.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.361 0.6 . . . . 74.21 110.919 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.1 p -121.15 161.05 22.5 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.58 -1.191 . . . . 72.11 107.918 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 4.8 p-10 -150.99 -167.66 2.88 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.788 0.835 . . . . 54.55 109.067 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -68.06 -36.64 80.21 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.015 0.371 . . . . 75.42 111.494 -175.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.9 m -69.63 -27.71 65.29 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.453 0.701 . . . . 74.41 110.609 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.534 ' HA ' ' O ' ' A' ' 127' ' ' THR . 27.0 p -81.95 -39.15 24.12 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 116.017 -0.538 . . . . 72.4 110.523 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.47 -32.15 68.48 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.417 0.687 . . . . 64.22 111.269 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.76 -24.57 60.97 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.732 0.813 . . . . 75.32 111.444 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.54 ' HA2' ' HB2' ' A' ' 129' ' ' GLU . . . 82.17 3.85 90.42 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 116.33 1.292 . . . . 73.41 116.33 -177.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -92.57 -7.49 46.99 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 118.225 1.012 . . . . 73.24 112.198 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.534 ' O ' ' HA ' ' A' ' 122' ' ' THR . 85.3 m -147.94 129.3 14.8 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 118.131 -0.938 . . . . 73.42 108.944 171.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 33.0 54.09 0.39 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 126.111 1.764 . . . . 74.33 114.502 171.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.54 ' HB2' ' HA2' ' A' ' 125' ' ' GLY . 18.7 tt0 -55.07 -51.77 65.31 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.28 1.032 . . . . 74.11 113.054 -170.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -71.0 -8.63 54.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.619 0.768 . . . . 73.31 112.42 -175.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.01 148.1 4.67 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.806 -0.918 . . . . 43.43 110.806 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.404 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 14.8 ttm-85 -119.22 158.5 25.87 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 106.256 -1.757 . . . . 74.54 106.256 173.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -117.42 169.73 9.28 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.429 0.633 . . . . 71.31 109.94 170.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.483 HD13 HD23 ' A' ' 149' ' ' LEU . 2.9 tt -144.29 122.37 12.14 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 105.986 -1.857 . . . . 75.32 105.986 165.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 7.2 p-10 -89.47 110.5 21.32 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 107.699 -1.223 . . . . 72.11 107.699 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.5 t -101.8 127.52 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 108.921 -0.77 . . . . 64.11 108.921 -177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -81.88 112.08 31.99 Favored Pre-proline 0 C--O 1.241 0.632 0 N-CA-C 106.205 -1.776 . . . . 71.52 106.205 171.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -58.74 -29.6 90.12 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.644 2.229 . . . . 74.35 112.769 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 50.36 37.16 14.66 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.587 1.155 . . . . 74.52 111.814 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.71 45.06 55.08 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-N 115.241 -0.891 . . . . 72.01 114.435 -173.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -79.53 146.57 32.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.6 0.36 . . . . 60.1 110.688 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -129.29 -169.14 2.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.197 0.999 . . . . 73.44 109.947 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.66 99.03 0.23 Allowed Glycine 0 C--N 1.357 1.703 0 O-C-N 123.835 0.71 . . . . 72.25 113.872 -172.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 101.38 8.65 46.27 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-O 119.734 -0.481 . . . . 65.45 113.634 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -80.91 172.56 13.59 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 107.069 -1.456 . . . . 62.31 107.069 161.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -137.66 156.33 48.16 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.7 0.762 . . . . 74.33 111.001 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.24 172.82 15.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 114.503 -1.226 . . . . 70.44 109.041 -174.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.85 118.37 31.35 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 122.796 0.438 . . . . 73.23 110.424 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.483 HD23 HD13 ' A' ' 134' ' ' LEU . 14.3 mt -93.43 85.2 4.88 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 106.925 -1.509 . . . . 73.14 106.925 164.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 12.9 t0 -90.63 102.01 14.76 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.93 -1.032 . . . . 75.31 108.331 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 21.2 m-85 -73.55 -17.61 61.18 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.865 0.866 . . . . 74.24 111.327 -177.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . 0.417 ' ND2' HD11 ' A' ' 19' ' ' ILE . 6.3 t30 -71.33 -25.65 62.49 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.078 0.551 . . . . 70.34 109.912 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.536 HD11 HG12 ' A' ' 19' ' ' ILE . 3.1 mm? -106.54 19.2 20.86 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.871 0.868 . . . . 70.41 112.008 174.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.94 148.91 7.02 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.264 0.626 . . . . 72.54 112.309 171.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -100.1 162.08 13.2 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.741 0.816 . . . . 73.43 109.478 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -121.52 133.32 24.2 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 124.402 1.081 . . . . 75.23 112.158 -164.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -78.98 146.74 20.62 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.663 2.242 . . . . 72.14 112.106 168.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -81.03 -6.23 58.55 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 112.697 0.628 . . . . 74.53 112.697 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 48.7 t -69.07 -33.9 74.29 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.138 0.575 . . . . 75.11 109.534 168.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -82.48 11.23 5.86 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.459 1.104 . . . . 64.13 112.535 -175.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . 0.439 ' CE2' ' HG ' ' A' ' 30' ' ' LEU . 35.2 m-85 -101.66 12.29 37.42 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.796 0.838 . . . . 73.31 111.422 173.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 79.46 49.29 6.28 Favored Glycine 0 C--N 1.349 1.263 0 N-CA-C 111.4 -0.68 . . . . 75.24 111.4 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -160.5 172.58 36.92 Favored Glycine 0 C--N 1.343 0.93 0 CA-C-N 115.275 -0.462 . . . . 63.42 112.231 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 24.5 p -105.39 68.01 0.79 Allowed 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.993 0.902 . . . . 72.42 109.045 -173.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.485 ' HE1' ' HG3' ' A' ' 39' ' ' PRO . 71.9 m-85 -105.89 157.42 17.5 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.754 -1.112 . . . . 74.22 110.334 176.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.7 p -75.4 127.51 33.3 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.783 -1.099 . . . . 53.33 110.986 -174.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.1 p -134.85 123.93 24.26 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.188 -1.041 . . . . 73.2 108.188 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -68.07 99.34 0.86 Allowed 'General case' 0 C--O 1.244 0.764 0 N-CA-C 108.8 -0.815 . . . . 62.32 108.8 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.476 HD22 HG22 ' A' ' 78' ' ' THR . 82.1 mt -59.51 123.31 70.13 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.364 1.065 . . . . 74.24 110.096 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.71 142.83 78.47 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.398 2.065 . . . . 74.52 111.725 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.66 157.11 48.88 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.063 1.842 . . . . 61.31 111.456 168.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.6 66.68 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.979 0.912 . . . . 72.52 112.5 -176.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.16 -15.4 61.96 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.955 0.902 . . . . 64.3 111.227 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -96.69 28.62 3.33 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.909 0.883 . . . . 74.14 110.28 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -103.45 109.07 20.58 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.673 -0.492 . . . . 74.22 109.673 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.496 HG13 HD23 ' A' ' 95' ' ' LEU . 39.1 t -83.94 125.91 71.7 Favored Pre-proline 0 CA--C 1.547 0.836 0 N-CA-C 108.306 -0.998 . . . . 71.5 108.306 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -77.94 66.37 8.21 Favored 'Trans proline' 0 CA--C 1.555 1.572 0 C-N-CA 122.585 2.19 . . . . 73.21 111.899 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -152.0 149.51 28.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.138 0.975 . . . . 62.53 109.732 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.11 108.64 20.01 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.838 0.455 . . . . 70.41 110.375 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . 0.453 HG22 ' HB3' ' A' ' 151' ' ' PHE . 2.4 mp -98.28 96.54 5.24 Favored 'Isoleucine or valine' 0 C--O 1.244 0.797 0 N-CA-C 108.022 -1.103 . . . . 74.51 108.022 178.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 61.3 p -94.99 76.27 3.53 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.516 -0.765 . . . . 73.01 111.053 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -161.54 115.51 1.95 Allowed 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.896 -1.047 . . . . 72.01 108.203 172.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 168.66 -158.17 30.69 Favored Glycine 0 C--O 1.243 0.706 0 N-CA-C 109.981 -1.247 . . . . 51.12 109.981 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.44 ' HA ' ' HB2' ' A' ' 50' ' ' ARG . 1.3 mp0 -78.86 141.93 37.27 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 108.46 -0.941 . . . . 72.13 108.46 153.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 137.21 37.04 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.499 -1.297 . . . . 71.2 107.499 166.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 44.0 t -131.2 163.05 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 107.871 -1.159 . . . . 74.12 107.871 -168.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . 0.438 ' O ' ' HG2' ' A' ' 191' ' ' GLU . 45.2 m-20 -115.32 130.86 57.03 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.803 0.441 . . . . 75.2 109.906 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.51 -12.66 16.06 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 124.203 0.939 . . . . 62.45 111.665 166.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.11 -35.02 37.41 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.478 1.111 . . . . 72.12 110.828 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 187' ' ' ASP . 4.3 mm? -93.7 -53.51 4.0 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.048 0.939 . . . . 70.24 111.995 -170.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 187' ' ' ASP . 15.8 pt-20 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.614 -0.707 . . . . 74.41 112.475 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.461 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 108.579 -0.897 . . . . 75.13 108.579 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.8 t -72.23 -47.95 10.37 Favored Pre-proline 0 CA--C 1.557 1.242 0 CA-C-O 119.049 -0.5 . . . . 74.51 109.907 170.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.26 141.24 38.82 Favored 'Trans proline' 0 C--N 1.388 2.636 0 CA-C-N 120.623 1.258 . . . . 74.14 110.661 164.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.8 mt -67.69 136.48 92.69 Favored Pre-proline 0 N--CA 1.473 0.722 0 C-N-CA 123.858 0.863 . . . . 73.33 110.359 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.509 ' HG3' ' HB2' ' A' ' 141' ' ' ALA . 52.9 Cg_endo -69.59 127.39 14.66 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 122.574 2.183 . . . . 72.32 110.602 178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -177.18 -56.25 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.41 0 C-N-CA 125.498 1.519 . . . . 74.13 108.479 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -89.44 25.58 0.59 Allowed 'Trans proline' 0 C--N 1.398 3.134 0 C-N-CA 122.265 1.977 . . . . 71.51 111.853 174.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.7 -19.07 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.799 0.84 . . . . 72.33 111.284 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 t -83.42 79.66 9.34 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 106.455 -1.683 . . . . 75.54 106.455 157.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 2.2 t0 -33.22 163.36 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 127.493 2.317 . . . . 74.13 116.072 -175.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -55.08 132.15 46.63 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.303 -0.862 . . . . 74.3 109.004 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -40.94 -37.16 0.75 Allowed 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 115.493 1.664 . . . . 73.14 115.493 -162.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.06 -59.11 5.24 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.533 0.733 . . . . 70.32 110.571 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -72.84 -22.99 60.71 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 114.989 -1.005 . . . . 52.51 111.081 -178.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.425 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 46.0 t90 -67.52 -47.71 69.13 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.338 1.055 . . . . 73.02 109.852 174.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 19' ' ' ILE . 21.6 ttt180 -67.35 -27.93 67.54 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.564 -0.744 . . . . 74.42 109.807 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.9 78.1 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 122.999 0.52 . . . . 74.52 112.325 168.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 26.8 mmt180 -60.46 -46.2 90.93 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 109.528 -0.545 . . . . 72.0 109.528 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.596 HG12 ' HG ' ' A' ' 153' ' ' LEU . 73.6 mt -57.06 -53.48 42.68 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-N 114.318 -1.31 . . . . 73.43 109.892 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.96 75.55 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.033 0.833 . . . . 61.21 111.844 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.38 -50.87 62.05 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.273 0.629 . . . . 73.32 111.262 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -63.8 -47.56 80.38 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.047 0.539 . . . . 63.4 111.497 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -47.95 -58.38 4.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.661 1.585 . . . . 72.33 111.285 172.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.01 -34.82 71.71 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.881 0.738 . . . . 63.32 111.763 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.47 -52.78 63.11 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.345 0.658 . . . . 75.42 110.924 174.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -72.58 -20.53 61.29 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.718 -0.674 . . . . 75.25 111.064 -177.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.62 -47.58 59.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.283 1.033 . . . . 75.02 110.074 172.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -85.71 -12.69 50.52 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.879 -0.601 . . . . 70.53 112.259 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 81.0 t80 -56.29 -42.32 77.35 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.175 0.59 . . . . 75.32 112.356 -177.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.683 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -90.15 -16.31 29.81 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.457 0.54 . . . . 73.23 112.457 177.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -58.73 2.44 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.892 0.477 . . . . 53.13 111.487 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -91.73 -59.14 2.2 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.817 0.847 . . . . 74.23 110.746 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.477 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 80.3 m80 -55.3 122.83 12.0 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 123.658 0.783 . . . . 71.14 111.488 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -72.48 -6.11 41.48 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.352 1.061 . . . . 71.33 112.267 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -59.26 -29.29 67.45 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.241 1.016 . . . . 73.4 112.625 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -157.42 77.05 3.88 Favored Pre-proline 0 CA--C 1.553 1.062 0 N-CA-C 108.984 -0.747 . . . . 75.13 108.984 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.16 124.49 14.47 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.541 2.161 . . . . 75.24 112.047 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.683 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 17.2 tt -72.72 140.28 81.21 Favored Pre-proline 0 CA--C 1.556 1.194 0 CA-C-O 118.511 -0.757 . . . . 75.31 109.695 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -54.66 145.63 58.58 Favored 'Trans proline' 0 C--N 1.388 2.653 0 C-N-CA 122.806 2.337 . . . . 74.21 112.047 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -54.63 -24.91 39.1 Favored 'Trans proline' 0 C--N 1.384 2.404 0 C-N-CA 123.822 3.015 . . . . 73.5 113.885 -174.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.87 -50.7 72.35 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.53 0.732 . . . . 70.43 111.215 176.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -90.2 -21.9 21.95 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.778 -0.646 . . . . 74.45 111.373 -175.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -60.03 -40.58 89.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.015 0.526 . . . . 75.41 110.055 166.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.26 -41.94 58.45 Favored Glycine 0 C--N 1.347 1.189 0 CA-C-N 115.737 -0.665 . . . . 74.33 112.183 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.0 18.38 2.52 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.853 0.861 . . . . 73.12 112.732 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -74.4 101.54 4.13 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.789 0.836 . . . . 73.32 109.779 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -121.92 -27.6 4.59 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.793 0.837 . . . . 53.4 109.568 170.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.2 125.8 0.86 Allowed Glycine 0 C--N 1.342 0.892 0 N-CA-C 110.087 -1.205 . . . . 61.34 110.087 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.439 ' HG ' HD22 ' A' ' 30' ' ' LEU . 4.1 mm? -85.31 -175.27 5.63 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.506 0.723 . . . . 71.51 111.508 -174.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.595 ' HB2' HD22 ' A' ' 156' ' ' ASN . 9.6 mmm-85 -88.0 114.33 24.51 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.193 0.52 . . . . 74.43 111.129 -165.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -163.49 135.46 5.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.663 1.585 . . . . 73.04 107.871 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' HA ' ' HB2' ' A' ' 184' ' ' GLU . 69.8 m-85 -75.72 159.66 30.86 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.147 0.579 . . . . 75.15 111.204 -173.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -75.02 158.21 33.58 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.735 -0.666 . . . . 74.04 110.35 -174.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.12 134.4 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.936 0.894 . . . . 75.12 110.918 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -162.72 121.24 2.13 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.147 0.579 . . . . 74.53 109.996 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.74 -5.99 56.35 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.14 0.976 . . . . 75.24 112.553 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.9 m -70.99 -50.5 33.57 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.497 0.319 . . . . 75.4 111.435 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.752 ' HB2' ' HB2' ' A' ' 152' ' ' ASN . 94.8 m-85 -88.16 27.78 1.16 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.874 0.694 . . . . 74.24 112.874 -171.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 32.7 ptt180 -104.94 97.56 7.41 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.51 -0.922 . . . . 75.0 108.51 169.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -102.63 178.55 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.999 -0.741 . . . . 75.52 108.999 178.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.15 138.52 54.15 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.88 -0.785 . . . . 73.52 108.88 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.83 145.2 49.89 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.291 1.037 . . . . 74.52 109.204 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -75.98 126.16 30.47 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.468 -0.568 . . . . 74.13 109.468 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 145' ' ' ASP . 35.7 t80 -84.76 120.87 26.92 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 123.932 0.893 . . . . 71.34 108.615 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -115.77 99.27 52.37 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.432 1.093 . . . . 65.24 108.083 174.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -66.12 141.15 62.33 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.464 2.109 . . . . 73.51 111.136 -175.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 95.74 0.68 Allowed 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.664 -0.865 . . . . 73.12 108.664 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -59.35 -27.16 65.68 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.584 1.153 . . . . 75.21 111.365 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -136.35 88.48 20.72 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 123.781 0.832 . . . . 71.23 108.846 170.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -79.82 148.59 20.03 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 123.031 2.488 . . . . 73.02 112.827 -175.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 158.2 44.13 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.447 0.699 . . . . 73.51 110.984 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.51 113.01 24.34 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.614 0.766 . . . . 75.21 109.863 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 14.0 m -105.0 154.1 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 124.23 1.012 . . . . 74.31 108.711 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -106.24 128.01 53.64 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 109.223 -0.658 . . . . 71.52 109.223 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.514 ' HB2' ' HB3' ' A' ' 168' ' ' ALA . 1.3 mm? -114.22 122.88 48.11 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 106.937 -1.505 . . . . 74.13 106.937 175.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.76 149.4 44.05 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 109.844 -0.428 . . . . 73.32 109.844 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 167' ' ' CYS . 58.3 p -119.31 164.35 15.81 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 120.887 0.375 . . . . 70.34 111.359 -173.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.7 p -77.26 -26.28 52.34 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.398 -0.819 . . . . 71.02 110.015 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.549 ' HB2' ' HA ' ' A' ' 166' ' ' SER . 23.4 tpt180 -71.86 -31.43 66.46 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.641 1.176 . . . . 73.32 112.249 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.99 -122.07 1.41 Allowed Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.414 -1.214 . . . . 74.32 111.907 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.37 151.45 44.79 Favored 'Trans proline' 0 C--N 1.384 2.407 0 C-N-CA 123.541 2.827 . . . . 74.12 112.534 -178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.29 157.76 56.0 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.604 2.203 . . . . 73.32 112.903 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.4 123.72 48.35 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.143 0.977 . . . . 60.31 108.587 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 38.2 mt-10 -88.86 122.81 32.63 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.784 0.434 . . . . 74.42 111.004 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.705 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 61.9 m-85 -122.38 134.34 54.62 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.736 1.214 . . . . 74.43 108.128 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -86.02 132.22 34.1 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 108.474 -0.935 . . . . 70.2 108.474 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -68.79 114.17 6.89 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.838 -0.43 . . . . 74.35 109.838 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.497 ' HB3' ' HB2' ' A' ' 106' ' ' ARG . . . -81.83 -50.27 9.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.636 0.774 . . . . 74.21 111.345 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -163.18 177.46 9.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.538 -0.755 . . . . 74.35 110.591 -171.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.522 HG13 HG21 ' A' ' 101' ' ' THR . 3.0 t -134.06 125.2 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 N-CA-C 107.722 -1.214 . . . . 73.13 107.722 172.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -98.14 121.81 40.51 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.821 0.848 . . . . 74.21 111.191 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.8 122.6 7.63 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 111.602 -0.599 . . . . 75.4 111.602 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.61 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 31.5 p90 -144.78 172.44 13.0 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 117.417 0.608 . . . . 72.4 110.911 -176.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -111.98 149.76 31.52 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.324 1.05 . . . . 71.45 108.64 171.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.43 HD12 HG11 ' A' ' 176' ' ' VAL . 1.0 OUTLIER -166.61 117.29 0.94 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 107.695 -1.224 . . . . 75.21 107.695 -179.009 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.14 -111.43 4.01 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.237 0.335 . . . . 64.51 112.949 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.34 19.74 13.94 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.157 0.983 . . . . 74.1 109.279 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.7 m -122.38 127.98 50.39 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.384 0.674 . . . . 71.21 111.497 -175.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -96.03 112.06 23.9 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 105.794 -1.928 . . . . 73.1 105.794 161.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -130.66 150.25 51.94 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.822 -0.549 . . . . 73.54 109.83 -168.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.522 HG21 HG13 ' A' ' 90' ' ' VAL . 0.3 OUTLIER -120.39 129.65 54.03 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 106.467 -1.679 . . . . 73.22 106.467 -178.463 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.61 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 9.6 tp -117.96 129.28 55.51 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.606 0.762 . . . . 73.15 108.958 -166.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.7 m -84.24 116.46 22.97 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 109.511 -0.552 . . . . 72.0 109.511 -173.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.01 124.62 40.1 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.467 1.107 . . . . 62.54 108.662 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.705 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 38.6 m-85 -99.63 168.87 9.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.424 0.631 . . . . 74.24 110.216 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.497 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 33.5 ttm180 -116.08 133.16 56.33 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.682 1.193 . . . . 65.3 108.333 -171.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.9 m -128.16 132.13 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.221 -1.029 . . . . 74.51 108.221 167.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -89.66 162.25 15.69 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.273 0.629 . . . . 70.13 110.058 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 75.5 -40.91 1.34 Allowed Glycine 0 CA--C 1.536 1.348 0 CA-C-N 115.757 -0.656 . . . . 71.44 112.354 -164.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -79.31 128.82 33.8 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.759 0.823 . . . . 71.34 108.905 162.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.2 m -79.24 -4.49 50.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.852 0.461 . . . . 74.24 110.917 166.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.6 m -93.44 144.55 25.24 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.843 0.857 . . . . 73.41 110.53 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.501 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 56.5 mt -89.04 139.25 30.65 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.104 0.962 . . . . 74.5 108.976 175.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.77 106.43 18.42 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.035 -1.098 . . . . 73.4 108.035 -176.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.66 95.48 27.99 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 123.718 0.807 . . . . 73.54 109.071 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -86.87 132.36 3.36 Favored 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 122.793 2.329 . . . . 73.21 110.936 171.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.416 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 42.2 p90 -146.33 167.95 22.29 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.572 0.349 . . . . 75.33 110.393 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.8 p -130.28 152.95 49.14 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 109.326 -0.62 . . . . 74.31 109.326 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -145.97 -168.91 3.11 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.406 0.682 . . . . 73.24 110.632 -173.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.54 -22.87 40.43 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.193 0.442 . . . . 74.42 112.193 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.26 -32.29 66.54 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.64 0.376 . . . . 63.23 110.006 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.3 p -66.59 -37.72 85.52 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 122.774 0.429 . . . . 71.03 110.267 171.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.19 -40.39 89.85 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.111 0.564 . . . . 75.44 111.338 174.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.96 -26.52 62.3 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.04 0.536 . . . . 73.53 111.278 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.39 -0.02 89.85 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 114.83 0.692 . . . . 73.31 114.83 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -77.02 -5.88 50.5 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 117.896 0.848 . . . . 72.13 110.976 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.513 ' HA ' ' HB ' ' A' ' 186' ' ' VAL . 68.3 p -127.59 158.99 36.0 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 107.582 -1.266 . . . . 75.02 107.582 160.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.431 ' CG ' ' HB3' ' A' ' 160' ' ' ALA . 33.1 t80 -54.78 113.33 1.28 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.934 0.494 . . . . 75.23 110.908 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -23.1 63.6 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 114.75 -1.113 . . . . 74.34 113.559 -163.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -70.79 -12.98 61.87 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.167 0.432 . . . . 73.14 112.167 -177.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.67 171.41 18.16 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-O 121.435 0.464 . . . . 75.31 113.831 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -116.05 156.35 26.49 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.618 1.567 . . . . 74.25 109.453 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.577 ' HH ' ' HB1' ' A' ' 168' ' ' ALA . 11.4 m-85 -121.06 157.34 30.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.616 1.566 . . . . 74.52 109.151 168.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.416 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 1.9 tt -151.66 129.98 12.04 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 106.808 -1.552 . . . . 75.53 106.808 169.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.29 116.62 29.83 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 107.202 -1.407 . . . . 75.43 107.202 175.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.28 123.41 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 109.318 -0.623 . . . . 72.31 109.318 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -82.93 118.16 70.85 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 107.512 -1.292 . . . . 74.44 107.512 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.501 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 26.8 Cg_endo -60.42 -25.79 81.24 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 122.746 2.297 . . . . 71.03 112.934 -176.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 5' ' ' PRO . . . 49.62 37.48 12.75 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.594 1.158 . . . . 74.25 113.017 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' A' ' 1' ' ' MET . . . 54.48 37.15 59.73 Favored Glycine 0 C--N 1.352 1.417 0 N-CA-C 115.155 0.822 . . . . 74.24 115.155 -175.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.509 ' HB2' ' HG3' ' A' ' 5' ' ' PRO . . . -79.5 152.76 30.02 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.942 0.497 . . . . 71.12 111.224 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -131.65 -164.96 1.51 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.62 0.768 . . . . 74.44 109.168 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.73 93.76 0.04 OUTLIER Glycine 0 C--N 1.356 1.652 0 O-C-N 124.183 0.927 . . . . 52.32 113.643 -173.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.89 4.8 31.44 Favored Glycine 0 C--N 1.35 1.313 0 N-CA-C 114.753 0.661 . . . . 72.01 114.753 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 22.1 m-20 -92.41 131.98 37.13 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 106.926 -1.509 . . . . 72.11 106.926 173.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -99.71 145.34 27.75 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.301 0.955 . . . . 75.13 111.375 -171.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.99 160.48 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.245 1.018 . . . . 65.24 108.918 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.82 120.4 24.02 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.886 0.475 . . . . 70.33 111.283 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.2 mt -99.76 86.33 3.29 Favored 'General case' 0 C--O 1.247 0.93 0 C-N-CA 124.029 0.932 . . . . 74.11 108.925 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.438 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 3.2 m-20 -78.68 92.86 4.81 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 114.925 -1.034 . . . . 73.02 109.283 173.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.566 ' HB3' HG21 ' A' ' 180' ' ' ILE . 20.6 m-85 -75.68 -22.67 56.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.671 0.388 . . . . 75.24 111.074 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . 0.752 ' HB2' ' HB2' ' A' ' 58' ' ' PHE . 25.2 t30 -63.9 -37.68 88.29 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.871 -0.604 . . . . 74.33 110.507 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.596 ' HG ' HG12 ' A' ' 19' ' ' ILE . 1.9 mm? -100.83 14.48 31.58 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.103 -0.953 . . . . 72.52 110.832 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.09 135.0 54.0 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 108.373 -0.973 . . . . 74.54 108.373 167.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -99.2 159.61 14.86 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.411 0.624 . . . . 73.43 109.344 -169.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.595 HD22 ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -97.5 142.26 24.28 Favored Pre-proline 0 C--N 1.312 -1.023 0 N-CA-C 108.145 -1.057 . . . . 71.22 108.145 169.546 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . 0.406 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 99.9 Cg_exo -48.9 153.83 3.57 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 123.618 2.879 . . . . 74.43 114.535 176.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -64.93 -17.18 64.13 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 113.928 1.084 . . . . 75.25 113.928 -174.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 37.1 t -70.47 -11.36 60.87 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 122.983 0.513 . . . . 74.11 111.256 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.431 ' HB3' ' CG ' ' A' ' 128' ' ' TYR . . . -92.32 -0.12 57.41 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.028 0.931 . . . . 71.25 112.003 176.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -93.47 3.96 54.72 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.558 0.743 . . . . 74.45 109.66 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 119.33 -27.14 7.1 Favored Glycine 0 C--N 1.356 1.649 0 CA-C-N 115.502 -0.772 . . . . 71.21 112.281 172.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -97.64 -175.52 33.94 Favored Glycine 0 C--N 1.349 1.25 0 C-N-CA 122.91 0.291 . . . . 71.35 112.957 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 16.4 m -112.41 78.22 1.11 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.967 0.907 . . . . 71.33 109.182 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.572 ' HZ ' ' HA ' ' A' ' 38' ' ' ILE . 98.3 m-85 -96.49 176.53 6.0 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.003 0.521 . . . . 75.23 111.122 -177.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.549 ' HA ' ' HB2' ' A' ' 79' ' ' ARG . 56.2 p -74.46 111.21 9.42 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.469 0.708 . . . . 64.42 111.093 -178.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 77' ' ' THR . 39.0 m -126.6 111.52 14.44 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 108.695 -0.854 . . . . 43.32 108.695 178.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.577 ' HB1' ' HH ' ' A' ' 133' ' ' TYR . . . -78.25 106.6 10.27 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 109.273 -0.64 . . . . 73.44 109.273 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 61.8 mt -59.85 127.27 85.16 Favored Pre-proline 0 CA--C 1.55 0.946 0 O-C-N 124.544 1.152 . . . . 75.12 110.069 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -67.9 151.92 77.67 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.92 2.413 . . . . 71.4 112.902 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -67.08 157.08 63.47 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 122.585 2.19 . . . . 72.21 111.47 168.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.02 65.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.276 0.63 . . . . 55.42 111.281 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.58 -22.51 66.13 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.423 1.089 . . . . 73.24 111.066 172.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -99.56 19.0 16.55 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.951 0.901 . . . . 72.23 110.335 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -93.05 118.75 31.54 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.396 -0.594 . . . . 74.24 109.396 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.43 HG11 HD12 ' A' ' 95' ' ' LEU . 40.7 t -96.36 121.02 61.33 Favored Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 107.602 -1.258 . . . . 73.44 107.602 171.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -78.65 61.43 7.99 Favored 'Trans proline' 0 C--N 1.372 1.796 0 C-N-CA 122.825 2.35 . . . . 74.1 112.016 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -151.59 145.72 25.32 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.937 1.295 . . . . 75.33 108.435 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -93.15 118.29 31.06 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.139 0.576 . . . . 74.01 109.75 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . 0.566 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -96.97 93.64 3.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 N-CA-C 106.526 -1.657 . . . . 72.14 106.526 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 20.8 p -89.21 78.29 7.34 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.62 0.724 . . . . 72.34 110.846 -174.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -96.69 126.06 41.59 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 106.159 -1.793 . . . . 71.53 106.159 173.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -87.35 100.29 2.57 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 120.278 -0.963 . . . . 65.44 115.127 -162.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 52' ' ' PHE . 39.4 tt0 -133.87 146.06 50.23 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 105.193 -2.151 . . . . 64.42 105.193 147.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -74.24 126.7 31.2 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 107.978 -1.119 . . . . 73.41 107.978 168.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.513 ' HB ' ' HA ' ' A' ' 127' ' ' THR . 85.9 t -129.96 124.93 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 105.184 -2.154 . . . . 74.42 105.184 169.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -112.33 106.09 14.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.994 -0.743 . . . . 73.31 108.994 -172.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -52.39 -21.8 4.01 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.117 0.967 . . . . 71.43 112.487 171.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -54.99 -47.09 75.09 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.15 1.38 . . . . 73.51 110.77 171.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.1 -60.89 1.63 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.707 0.803 . . . . 73.33 110.74 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 CA--C 1.555 1.159 0 C-N-CA 124.252 1.021 . . . . 73.11 109.691 -176.301 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ppp? . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.166 -0.309 . . . . 74.34 110.166 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 p -99.94 101.15 13.1 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 124.098 0.959 . . . . 72.32 109.347 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -82.68 128.65 5.36 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.166 1.911 . . . . 73.54 113.277 -174.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 mt -79.01 128.1 77.48 Favored Pre-proline 0 C--O 1.244 0.795 0 N-CA-C 108.132 -1.062 . . . . 74.04 108.132 166.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.81 122.79 8.83 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.969 1.779 . . . . 74.34 111.209 -176.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 51.6 mt -161.08 -56.95 0.02 OUTLIER Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.427 1.491 . . . . 71.34 107.731 -179.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 28.8 Cg_endo -88.5 30.69 0.42 Allowed 'Trans proline' 0 C--N 1.403 3.445 0 C-N-CA 121.94 1.76 . . . . 73.35 112.57 174.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 m -58.58 -33.3 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 108.924 -0.769 . . . . 71.14 108.924 167.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.433 HG21 ' HD2' ' A' ' 59' ' ' ARG . 10.2 t -91.95 96.4 10.35 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 107.783 -1.191 . . . . 74.42 107.783 163.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.1 m-20 -39.47 159.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 115.536 1.68 . . . . 62.41 115.536 174.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -49.96 138.84 14.75 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 114.571 -1.195 . . . . 74.11 110.428 169.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -43.73 -39.06 3.49 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 114.742 1.386 . . . . 74.53 114.742 -167.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.68 -57.35 13.05 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.699 0.761 . . . . 71.31 110.621 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -69.78 -25.09 63.63 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 114.442 -1.254 . . . . 63.11 111.865 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.487 ' O ' HG13 ' A' ' 19' ' ' ILE . 31.7 t90 -75.98 -47.94 23.03 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.364 1.066 . . . . 71.54 109.923 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -58.98 -36.0 74.13 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.714 0.633 . . . . 65.2 109.939 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.56 83.1 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 123.762 0.664 . . . . 74.22 112.054 172.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 2.8 mmp_? -58.6 -48.35 81.26 Favored 'General case' 0 C--N 1.371 1.527 0 N-CA-C 109.699 -0.482 . . . . 74.41 109.699 174.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 15' ' ' TRP . 25.0 mt -65.77 -50.89 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 124.121 0.888 . . . . 74.12 110.794 -176.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 -49.55 71.59 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.048 0.939 . . . . 71.42 112.043 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.72 -45.4 75.18 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.844 0.458 . . . . 75.51 110.946 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.47 -48.78 79.55 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.622 0.769 . . . . 72.21 111.217 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 13.9 ptt180 -70.54 -35.99 73.43 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 119.0 -0.524 . . . . 74.33 110.744 -175.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.52 81.98 Favored 'General case' 0 C--N 1.359 0.984 0 O-C-N 123.581 0.551 . . . . 75.01 110.821 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.27 -47.55 85.52 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.737 1.215 . . . . 73.04 110.116 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 158' ' ' PHE . 42.8 mmtm -79.19 -16.34 56.72 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.87 -1.059 . . . . 74.12 112.219 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 23' ' ' ARG . 7.4 t70 -77.0 -45.78 26.14 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 110.11 -0.33 . . . . 65.11 110.11 174.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.18 -27.94 61.05 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 115.726 -0.67 . . . . 75.11 110.105 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -40.44 -64.33 0.53 Allowed 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.954 1.701 . . . . 75.21 113.53 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' H ' HD11 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -58.32 -19.71 37.18 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 112.47 0.544 . . . . 72.42 112.47 -174.305 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.79 -42.99 8.83 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.248 0.619 . . . . 62.5 111.419 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.6 p -100.29 12.7 36.5 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.549 1.139 . . . . 74.14 112.191 -170.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -144.56 132.99 21.95 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.668 -0.696 . . . . 75.33 111.069 -175.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.35 -8.3 59.63 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.302 -1.317 . . . . 63.13 110.695 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -60.51 -36.54 78.59 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 123.7 0.8 . . . . 71.12 110.78 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.1 m -157.64 79.23 3.44 Favored Pre-proline 0 CA--C 1.549 0.939 0 N-CA-C 107.541 -1.281 . . . . 72.45 107.541 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -78.79 153.01 25.71 Favored 'Trans proline' 0 C--N 1.374 1.881 0 C-N-CA 122.885 2.39 . . . . 75.32 113.222 -171.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.8 tt -95.55 135.26 23.25 Favored Pre-proline 0 CA--C 1.565 1.532 0 CA-C-N 114.817 -1.083 . . . . 64.23 108.159 172.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.09 149.81 51.36 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 123.624 2.882 . . . . 73.25 112.901 -175.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.82 -31.6 26.84 Favored 'Trans proline' 0 C--N 1.384 2.397 0 C-N-CA 124.406 3.404 . . . . 73.3 114.818 -171.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.23 -47.27 65.21 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.83 0.452 . . . . 74.42 111.291 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -81.88 -24.02 35.96 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.731 0.413 . . . . 71.11 109.974 -177.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -68.57 -34.91 76.64 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.109 0.964 . . . . 73.53 110.762 170.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.97 -42.0 60.47 Favored Glycine 0 C--N 1.347 1.176 0 N-CA-C 111.356 -0.698 . . . . 75.35 111.356 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.54 14.04 10.74 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.512 0.725 . . . . 73.0 112.058 176.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -73.0 117.31 14.57 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 121.452 0.644 . . . . 73.54 110.834 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -116.49 -63.14 1.49 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.101 -1.409 . . . . 73.43 107.904 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.68 148.56 7.93 Favored Glycine 0 C--N 1.341 0.857 0 CA-C-N 115.318 -0.855 . . . . 63.51 111.805 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 187' ' ' ASP . 2.8 mm? -87.31 151.01 23.47 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.492 0.717 . . . . 72.52 110.241 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -79.2 148.36 32.29 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.642 -0.708 . . . . 70.24 110.317 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -129.24 131.41 47.04 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 108.013 -1.106 . . . . 74.25 108.013 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.451 ' HB2' ' H ' ' A' ' 184' ' ' GLU . 2.8 m-85 -65.55 162.06 18.91 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.121 0.569 . . . . 74.32 109.911 175.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.87 122.05 16.84 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.855 0.862 . . . . 73.4 110.781 -173.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 19' ' ' ILE . 38.9 mt -67.61 112.32 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 124.013 0.925 . . . . 64.31 110.071 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -113.74 130.01 56.49 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.275 -0.875 . . . . 73.53 111.002 -168.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.69 -27.01 45.02 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.14 0.976 . . . . 64.44 112.527 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.9 t -73.37 -18.56 61.15 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.602 0.361 . . . . 71.24 111.094 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -89.48 18.31 5.44 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.888 0.475 . . . . 74.1 111.044 172.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.474 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 53.3 ttp180 -105.48 92.02 4.02 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.972 -1.121 . . . . 74.4 107.972 167.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.5 m -98.96 157.62 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 116.006 -0.543 . . . . 75.23 110.451 -174.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.16 119.9 30.87 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 108.667 -0.864 . . . . 54.44 108.667 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.629 ' HB2' ' HB3' ' A' ' 91' ' ' LEU . . . -111.99 122.64 48.32 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.621 0.768 . . . . 74.04 110.474 -173.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 63' ' ' ARG . 21.3 mmt180 -74.39 110.84 9.01 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.507 0.67 . . . . 74.51 109.676 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.59 ' HH ' ' HB3' ' A' ' 138' ' ' PRO . 26.7 t80 -79.89 112.19 16.94 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 114.301 -1.318 . . . . 75.31 109.254 -173.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -105.34 100.95 28.39 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 108.226 -1.027 . . . . 75.23 108.226 172.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.62 137.54 64.65 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 121.911 1.74 . . . . 73.4 109.735 175.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.7 103.19 0.66 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.4 -0.592 . . . . 63.11 109.4 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -55.64 -31.54 62.41 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 113.748 -1.569 . . . . 74.43 110.425 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.85 101.33 12.84 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 124.263 1.025 . . . . 73.43 109.423 165.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.12 122.03 7.32 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.524 2.149 . . . . 71.21 111.923 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.8 149.0 50.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.225 0.61 . . . . 75.34 110.263 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.41 115.58 20.82 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.041 0.936 . . . . 73.13 109.442 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 11.7 m -106.71 161.88 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.407 1.083 . . . . 75.22 109.792 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -98.52 113.72 25.85 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.262 1.025 . . . . 73.35 110.15 -177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 170' ' ' PRO . 1.9 mm? -104.03 133.61 48.69 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 106.597 -1.631 . . . . 72.44 106.597 168.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.51 162.0 28.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 117.8 0.273 . . . . 71.32 110.424 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.9 p -136.36 163.07 31.31 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.962 0.41 . . . . 73.22 109.999 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.0 p -103.43 -8.63 20.03 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.099 0.959 . . . . 72.25 110.295 173.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HB2' ' HA ' ' A' ' 166' ' ' SER . 14.8 tpt180 -73.57 -33.7 64.78 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.942 0.897 . . . . 73.04 111.535 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.32 -120.37 1.06 Allowed Glycine 0 C--N 1.344 1.019 0 CA-C-O 118.484 -1.176 . . . . 74.02 111.137 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -56.73 138.22 84.39 Favored 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 123.386 2.724 . . . . 64.34 112.164 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -63.33 164.46 20.2 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.519 2.146 . . . . 75.12 113.178 -176.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.55 126.25 52.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.293 1.037 . . . . 74.01 111.044 -173.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 45.3 mt-10 -83.21 128.39 34.45 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.614 0.766 . . . . 73.35 109.963 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.494 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 53.5 m-85 -132.62 139.77 47.91 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 108.99 -0.745 . . . . 75.24 108.99 175.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.3 m -95.48 125.37 40.04 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.086 -0.709 . . . . 63.14 109.086 -175.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -73.75 115.69 13.47 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.365 -0.606 . . . . 74.24 109.365 -177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -98.57 -33.25 11.06 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.363 0.665 . . . . 64.34 110.636 -177.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.33 167.68 25.43 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.607 -0.724 . . . . 72.05 110.865 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.7 t -138.48 117.49 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.222 1.409 . . . . 74.33 107.947 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.629 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . 1.9 mm? -93.55 131.94 38.33 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.24 0.616 . . . . 74.4 111.145 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.82 114.7 3.4 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 110.784 -0.926 . . . . 63.12 110.784 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.43 ' HE2' HD11 ' A' ' 95' ' ' LEU . 24.7 p90 -146.86 140.83 26.02 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.694 0.798 . . . . 74.43 109.855 -166.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 4.1 m-20 -81.36 146.98 30.05 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.81 0.444 . . . . 72.21 110.022 172.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.449 HD13 HG13 ' A' ' 176' ' ' VAL . 2.0 tt -158.37 127.34 5.58 Favored 'General case' 0 C--O 1.249 1.029 0 N-CA-C 107.085 -1.45 . . . . 70.41 107.085 -174.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.67 -91.94 1.09 Allowed Glycine 0 C--N 1.351 1.404 0 N-CA-C 109.762 -1.335 . . . . 41.41 109.762 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -133.51 -15.57 2.44 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.121 1.369 . . . . 74.11 110.477 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.9 m -117.96 147.56 43.04 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.979 0.419 . . . . 75.1 111.569 -165.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 20.6 p-80 -84.69 123.05 29.94 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 108.712 -0.847 . . . . 64.0 108.712 174.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -116.74 149.96 39.03 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.656 1.582 . . . . 74.42 109.001 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 m -129.2 126.74 39.85 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.94 -0.763 . . . . 71.42 108.94 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.8 tp -132.68 141.42 48.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.489 0.716 . . . . 71.33 109.37 -165.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.5 m -93.4 132.05 38.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.953 0.406 . . . . 74.02 111.007 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.505 ' HA ' HG21 ' A' ' 115' ' ' VAL . . . -106.02 116.94 32.8 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.259 1.024 . . . . 74.15 108.768 177.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 38.8 m-85 -93.84 171.54 8.8 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.399 0.619 . . . . 74.33 111.64 -175.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.552 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 48.2 ttt180 -116.35 119.1 34.61 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.811 1.244 . . . . 74.22 107.894 -172.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 54.6 t -109.9 124.03 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.776 0.83 . . . . 75.33 109.179 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.31 143.05 56.38 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.961 0.504 . . . . 74.45 110.013 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 83.7 -31.02 3.37 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-O 120.009 -0.328 . . . . 73.01 113.495 -174.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -106.12 121.9 45.09 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.887 0.875 . . . . 72.5 110.427 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.5 m -77.86 -11.28 59.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.702 0.801 . . . . 70.01 112.07 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.5 m -87.17 145.76 26.28 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.092 0.557 . . . . 74.44 110.043 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.447 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 53.1 mt -82.3 127.34 33.12 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.066 0.946 . . . . 73.44 108.545 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.89 113.02 24.53 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.817 -1.179 . . . . 63.14 107.817 -172.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 104' ' ' ALA . 21.6 t -110.04 98.2 33.51 Favored Pre-proline 0 N--CA 1.475 0.779 0 C-N-CA 123.493 0.717 . . . . 75.41 109.391 -177.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -84.59 123.67 2.96 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 123.373 2.716 . . . . 53.02 109.944 168.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -148.48 166.11 29.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.482 0.658 . . . . 74.43 110.416 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.5 p -128.19 163.12 25.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.559 -1.2 . . . . 73.31 107.851 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -160.02 -166.15 1.65 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.105 0.562 . . . . 62.02 109.873 -174.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -77.75 -27.31 50.36 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 111.94 0.348 . . . . 72.33 111.94 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.7 m -77.6 -35.07 53.25 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.406 0.682 . . . . 61.52 112.126 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 23.7 p -66.42 -36.3 82.47 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 120.975 0.417 . . . . 75.34 110.161 170.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.87 -28.77 69.77 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.086 -0.961 . . . . 75.2 111.155 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.47 -19.85 64.58 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.224 1.01 . . . . 74.02 111.435 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 89.86 -21.95 27.71 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 115.501 0.96 . . . . 75.21 115.501 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -76.01 -7.59 55.01 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.062 0.931 . . . . 75.0 112.983 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.8 p -129.31 164.96 22.41 Favored 'General case' 0 C--O 1.246 0.917 0 N-CA-C 107.68 -1.23 . . . . 71.21 107.68 160.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.448 ' CE2' ' HA ' ' A' ' 186' ' ' VAL . 98.7 m-85 -58.3 112.56 1.6 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.368 0.877 . . . . 72.03 113.368 -164.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -57.8 -26.65 62.23 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.749 1.219 . . . . 64.23 111.798 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.549 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 59.6 m80 -69.34 -13.17 62.23 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.108 0.963 . . . . 75.15 111.564 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.79 162.82 11.32 Favored Glycine 0 C--N 1.339 0.714 0 N-CA-C 110.744 -0.942 . . . . 71.22 110.744 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -122.91 141.39 51.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.798 -1.556 . . . . 74.32 106.798 173.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -96.75 167.99 10.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.332 0.587 . . . . 72.42 110.644 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.0 tt -150.9 130.57 13.11 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 106.384 -1.71 . . . . 75.22 106.384 170.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -100.67 124.6 46.51 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 108.583 -0.895 . . . . 75.02 108.583 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.2 t -113.67 123.22 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.125 -1.065 . . . . 72.24 108.125 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -89.84 119.22 69.42 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 107.918 -1.142 . . . . 73.12 107.918 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.59 ' HB3' ' HH ' ' A' ' 64' ' ' TYR . 38.1 Cg_endo -64.27 -31.6 63.17 Favored 'Trans proline' 0 C--N 1.372 1.799 0 C-N-CA 122.415 2.077 . . . . 61.21 112.975 -177.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.4 -82.75 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.735 1.214 . . . . 74.14 113.207 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -150.82 25.48 1.04 Allowed Glycine 0 C--N 1.343 0.941 0 C-N-CA 123.58 0.609 . . . . 72.15 112.066 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.44 105.35 1.78 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.465 1.106 . . . . 74.3 112.138 -175.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -86.46 169.98 12.37 Favored 'General case' 0 C--O 1.249 1.07 0 CA-C-N 115.091 -0.959 . . . . 73.24 109.21 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -56.2 103.09 0.22 Allowed Glycine 0 C--N 1.342 0.913 0 O-C-N 123.696 0.623 . . . . 65.42 113.555 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 105.01 10.14 32.91 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-O 119.284 -0.731 . . . . 63.25 114.145 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.18 177.27 9.13 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 117.743 0.771 . . . . 75.43 109.446 172.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -119.51 143.84 47.34 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.077 0.465 . . . . 74.4 110.505 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.15 144.06 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 107.782 -1.192 . . . . 72.42 107.782 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.88 110.81 14.42 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 110.12 -0.326 . . . . 74.14 110.12 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 16.1 mt -92.71 86.22 5.48 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 108.255 -1.017 . . . . 74.14 108.255 171.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.474 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -87.21 102.73 14.76 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 114.815 -1.084 . . . . 70.12 108.195 171.422 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -66.57 -16.65 64.32 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.315 -1.311 . . . . 75.03 110.434 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -75.63 -0.67 21.41 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.598 0.759 . . . . 73.4 112.209 173.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -110.74 -0.38 17.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.879 0.872 . . . . 75.1 111.396 168.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.13 140.21 21.48 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 123.945 0.778 . . . . 72.25 112.593 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -97.07 160.91 14.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.623 1.169 . . . . 71.15 108.809 -172.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -129.84 153.5 80.91 Favored Pre-proline 0 N--CA 1.476 0.859 0 N-CA-C 108.975 -0.75 . . . . 73.25 108.975 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.92 120.67 7.55 Favored 'Trans proline' 0 C--N 1.371 1.756 0 C-N-CA 120.898 1.066 . . . . 71.31 110.206 171.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 26' ' ' LYS . 82.9 m-85 -86.41 -15.63 39.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.937 0.495 . . . . 75.33 110.71 175.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 165' ' ' PHE . 35.9 m -57.1 -33.02 66.89 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.433 1.093 . . . . 73.12 111.014 169.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.16 -15.64 63.83 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.248 1.019 . . . . 73.22 112.95 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . 0.414 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 29.5 m-85 -71.39 8.37 1.07 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 114.111 1.152 . . . . 71.21 114.111 -177.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 114.34 -10.6 22.1 Favored Glycine 0 N--CA 1.474 1.214 0 CA-C-N 118.763 0.711 . . . . 53.42 113.355 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -74.01 -155.8 4.08 Favored Glycine 0 C--N 1.353 1.476 0 CA-C-N 117.38 0.59 . . . . 72.24 112.711 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 49.9 m -76.75 100.74 5.55 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 107.106 -1.442 . . . . 73.45 107.106 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.411 ' HA ' ' HB3' ' A' ' 159' ' ' CYS . 7.8 p90 -80.89 78.11 7.72 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 122.725 1.25 . . . . 75.55 111.131 -164.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 79' ' ' ARG . 22.2 p -98.01 94.24 6.75 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 113.553 -1.658 . . . . 71.44 109.322 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 130' ' ' HIS . 6.9 p -122.52 135.95 54.77 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.292 -1.003 . . . . 73.14 108.292 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -85.25 93.76 8.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.243 0.617 . . . . 75.21 109.77 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.36 111.83 5.36 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 124.478 1.111 . . . . 75.33 109.46 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.556 ' HB2' ' HB2' ' A' ' 174' ' ' ASN . 56.7 Cg_endo -83.42 152.02 13.59 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 122.429 2.086 . . . . 73.4 111.772 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.87 176.35 1.88 Allowed 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.907 2.405 . . . . 72.1 113.289 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -67.27 -15.96 64.0 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.323 0.649 . . . . 73.12 111.547 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.71 -23.68 66.15 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.987 0.915 . . . . 73.25 111.264 172.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.556 ' HB2' ' HB2' ' A' ' 170' ' ' PRO . 36.8 m-80 -112.82 36.17 3.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.918 0.887 . . . . 71.0 109.644 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -116.47 115.14 25.26 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.753 -0.832 . . . . 74.54 108.753 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.449 HG13 HD13 ' A' ' 95' ' ' LEU . 60.9 t -86.2 119.46 71.67 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 108.894 -0.78 . . . . 65.42 108.894 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.54 58.89 4.69 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 123.169 2.579 . . . . 64.22 112.205 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.33 152.18 31.79 Favored 'General case' 0 C--O 1.251 1.183 0 C-N-CA 124.529 1.131 . . . . 62.42 108.923 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -85.35 104.86 15.55 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.832 -0.622 . . . . 71.22 109.374 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 1.8 mp -91.45 89.59 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 104.385 -2.45 . . . . 73.3 104.385 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 2.4 m -119.35 73.19 0.93 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.316 1.055 . . . . 73.22 108.434 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -108.91 -163.05 0.84 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 113.589 -1.641 . . . . 72.12 108.589 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -71.89 100.69 0.95 Allowed Glycine 0 C--N 1.356 1.671 0 N-CA-C 110.203 -1.159 . . . . 55.42 110.203 170.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.451 ' H ' ' HB2' ' A' ' 52' ' ' PHE . 6.3 pt-20 -133.21 144.58 49.9 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.092 1.357 . . . . 72.51 108.318 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . 0.486 HH22 HD21 ' A' ' 49' ' ' LEU . 10.8 ptm180 -106.86 179.67 4.2 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.713 0.768 . . . . 63.43 111.603 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.453 HG23 ' H ' ' A' ' 187' ' ' ASP . 8.7 p -173.2 -169.47 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 CA-C-N 113.629 -1.623 . . . . 75.43 106.904 -167.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . 0.499 ' HA ' HD13 ' A' ' 49' ' ' LEU . 9.8 p-10 -116.85 93.29 4.14 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 106.087 -1.82 . . . . 74.33 106.087 168.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -93.08 -2.76 55.2 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.206 -0.934 . . . . 72.02 110.517 -171.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -64.55 -39.96 94.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.647 0.779 . . . . 73.12 108.939 167.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -93.84 -66.8 0.89 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.318 -0.855 . . . . 73.23 109.347 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 . . . . . 0 CA--C 1.556 1.204 0 C-N-CA 123.698 0.799 . . . . 74.32 112.333 178.505 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 108.956 -0.757 . . . . 73.13 108.956 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -74.03 -50.5 5.27 Favored Pre-proline 0 CA--C 1.563 1.46 0 CA-C-O 118.743 -0.646 . . . . 72.22 109.995 174.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -89.45 171.97 4.21 Favored 'Trans proline' 0 C--N 1.393 2.902 0 C-N-CA 121.331 1.354 . . . . 71.44 111.65 167.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.81 138.42 85.49 Favored Pre-proline 0 N--CA 1.48 1.04 0 C-N-CA 123.689 0.795 . . . . 74.23 110.139 171.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.94 123.69 11.64 Favored 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.548 2.165 . . . . 74.33 110.885 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 36.3 mt -167.32 -58.63 0.01 OUTLIER Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 125.482 1.513 . . . . 75.53 108.409 -170.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.401 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 21.4 Cg_endo -88.49 28.58 0.48 Allowed 'Trans proline' 0 C--N 1.397 3.124 0 C-N-CA 122.381 2.054 . . . . 71.15 111.787 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.3 m -71.08 -20.89 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.885 0.874 . . . . 74.53 111.037 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -85.02 91.73 8.16 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 107.79 -1.189 . . . . 73.12 107.79 164.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 6.5 t0 -34.96 147.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.852 1.661 . . . . 71.1 114.875 177.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -54.12 138.38 38.11 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.746 0.819 . . . . 73.43 111.136 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -40.83 -42.19 1.75 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 126.239 1.816 . . . . 64.34 115.514 -163.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.35 -59.44 5.0 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.085 0.554 . . . . 73.42 110.462 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -72.16 -19.93 61.68 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.038 -0.983 . . . . 73.32 111.415 -178.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.489 ' O ' HG13 ' A' ' 19' ' ' ILE . 27.2 t90 -66.21 -55.03 18.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.604 1.162 . . . . 74.22 109.507 174.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.407 ' HA ' HD11 ' A' ' 19' ' ' ILE . 77.2 mtt-85 -61.93 -30.35 70.84 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.58 -0.736 . . . . 74.24 111.016 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.52 93.98 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 119.146 -0.454 . . . . 62.24 111.289 170.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 8.6 mmp_? -58.23 -49.57 76.62 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.963 0.505 . . . . 73.34 110.466 177.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 15' ' ' TRP . 19.9 mt -63.49 -58.63 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 115.461 -0.79 . . . . 73.51 110.504 -175.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.36 -39.45 75.99 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.095 0.872 . . . . 61.24 112.009 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -47.58 70.08 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.689 0.396 . . . . 74.12 111.694 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -67.32 -38.82 85.52 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 121.108 0.48 . . . . 75.33 110.421 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' NH1' ' HB2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -68.84 -34.24 75.15 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 114.798 -1.092 . . . . 73.02 109.628 178.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.63 -36.56 70.8 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.65 0.78 . . . . 75.11 111.309 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.19 -42.01 98.89 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.242 0.617 . . . . 52.21 109.851 173.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -29.57 65.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.462 -0.79 . . . . 73.04 111.687 174.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -62.23 -47.98 82.03 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.311 0.644 . . . . 75.02 109.818 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.06 -19.29 44.11 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.579 -0.737 . . . . 74.21 112.38 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 33' ' ' HIS . 42.2 t80 -56.52 -51.92 66.7 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 112.96 0.726 . . . . 74.42 112.96 -176.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.641 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -85.28 -18.82 32.76 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 111.633 0.234 . . . . 72.12 111.633 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.98 -54.88 6.2 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.273 0.629 . . . . 73.14 111.371 -176.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 t -120.85 -50.63 2.17 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.371 0.669 . . . . 71.33 112.004 -173.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 3.2 t-160 -44.85 115.34 0.86 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.192 0.997 . . . . 75.53 111.27 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.84 -17.82 57.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.683 1.193 . . . . 75.53 113.974 -167.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -69.22 -20.4 63.96 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.095 0.558 . . . . 74.12 112.012 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 t -143.0 106.05 5.26 Favored Pre-proline 0 C--N 1.345 0.41 0 N-CA-C 108.652 -0.87 . . . . 74.45 108.652 -169.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -91.22 123.28 0.8 Allowed 'Trans proline' 0 CA--C 1.552 1.402 0 C-N-CA 122.492 2.128 . . . . 62.13 111.867 168.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.641 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 18.3 tt -80.4 142.57 54.4 Favored Pre-proline 0 N--CA 1.477 0.887 0 N-CA-C 107.085 -1.45 . . . . 75.1 107.085 165.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -43.44 131.41 6.99 Favored 'Trans proline' 0 CA--C 1.559 1.766 0 C-N-CA 123.097 2.531 . . . . 72.02 113.687 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.42 -33.28 46.06 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 123.788 2.992 . . . . 74.24 112.851 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.61 92.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.804 0.842 . . . . 72.55 111.767 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.01 -38.27 32.43 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.166 0.586 . . . . 63.33 110.941 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.505 ' HB2' HG22 ' A' ' 38' ' ' ILE . 44.0 ttp85 -63.66 -29.78 70.97 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.78 0.675 . . . . 73.42 111.386 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.64 -44.27 96.7 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 116.112 -0.494 . . . . 71.11 112.357 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.43 17.39 16.21 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.762 0.825 . . . . 74.12 111.888 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -76.83 122.55 24.96 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.144 0.578 . . . . 73.42 110.423 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -136.61 -17.42 1.49 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.347 0.659 . . . . 75.41 111.084 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.03 122.44 0.61 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 111.787 -0.525 . . . . 75.31 111.787 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.52 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 65.4 mt -64.49 147.38 52.88 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.501 0.721 . . . . 73.13 111.622 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -81.9 134.47 35.4 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.286 -0.87 . . . . 72.04 110.626 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -160.64 147.39 15.44 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.73 -1.123 . . . . 64.21 108.727 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -73.38 161.72 30.14 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.537 -0.542 . . . . 75.51 109.537 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.06 145.9 44.09 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.37 -0.377 . . . . 71.1 110.683 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -65.3 115.86 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.438 0.695 . . . . 75.3 110.15 -171.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -105.36 131.21 53.08 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.431 0.692 . . . . 63.01 109.938 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.59 -21.85 47.98 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.785 0.834 . . . . 64.51 111.98 -175.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.6 m -79.45 -19.42 49.89 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 122.138 -0.351 . . . . 62.31 110.469 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -86.46 11.77 11.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.318 0.647 . . . . 75.41 112.391 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.515 ' HB3' ' ND2' ' A' ' 152' ' ' ASN . 36.9 ptt180 -109.68 108.2 18.5 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 108.327 -0.99 . . . . 74.43 108.327 164.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.6 m -103.01 170.57 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 120.969 0.414 . . . . 74.34 110.57 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.43 108.38 18.88 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.677 -1.231 . . . . 72.24 107.677 175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.36 134.29 47.0 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.993 0.917 . . . . 73.03 109.937 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -74.68 117.45 16.53 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.486 0.714 . . . . 72.53 109.799 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -83.05 124.22 30.23 Favored 'General case' 0 C--O 1.251 1.156 0 C-N-CA 124.994 1.317 . . . . 74.22 110.128 -174.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -125.8 112.28 24.85 Favored Pre-proline 0 C--O 1.214 -0.783 0 N-CA-C 108.482 -0.933 . . . . 74.54 108.482 167.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.94 163.69 36.31 Favored 'Trans proline' 0 C--N 1.369 1.641 0 C-N-CA 122.455 2.103 . . . . 75.33 111.741 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.82 97.69 3.34 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.488 -0.931 . . . . 63.23 108.488 172.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -58.3 -27.17 63.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.225 1.01 . . . . 72.23 110.963 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -128.17 93.44 38.91 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 107.57 -1.27 . . . . 71.53 107.57 167.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.7 128.5 12.61 Favored 'Trans proline' 0 C--N 1.367 1.542 0 C-N-CA 121.997 1.798 . . . . 74.43 111.389 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -131.0 152.2 50.57 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.77 0.828 . . . . 74.23 110.853 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.15 113.15 23.49 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.587 0.755 . . . . 75.42 109.352 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 33.8 m -105.68 156.65 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 123.775 0.83 . . . . 72.43 109.958 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.499 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 44.8 mt-10 -102.04 116.36 32.52 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.37 0.668 . . . . 63.12 109.611 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 168' ' ' ALA . 0.7 OUTLIER -114.41 124.37 51.77 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.143 -1.428 . . . . 74.13 107.143 174.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -60.36 152.7 24.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.367 0.667 . . . . 74.31 109.873 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.2 p -117.66 163.62 16.2 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.483 0.583 . . . . 74.53 110.721 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.9 p -74.72 -27.88 60.56 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.212 -0.904 . . . . 72.22 109.946 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -72.97 -32.46 65.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.263 -0.881 . . . . 73.41 111.442 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.23 -120.39 1.13 Allowed Glycine 0 C--N 1.346 1.13 0 CA-C-O 118.844 -0.976 . . . . 73.43 112.465 -171.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -50.83 143.76 28.96 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.269 3.313 . . . . 75.23 114.128 -172.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -61.87 139.03 77.63 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 122.874 2.383 . . . . 73.32 112.691 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.35 128.63 44.34 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.069 1.347 . . . . 75.01 109.093 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.499 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 40.0 mt-10 -94.06 127.84 40.1 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.075 0.55 . . . . 73.21 110.084 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.456 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 59.1 m-85 -131.02 139.03 49.9 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.998 0.519 . . . . 75.14 110.98 -177.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -80.98 130.94 35.26 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.436 -0.802 . . . . 73.31 109.284 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -70.85 116.08 10.73 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.658 0.383 . . . . 75.3 110.032 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.57 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.66 -51.1 8.05 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.433 0.693 . . . . 54.34 111.457 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.9 175.23 12.75 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.369 -0.832 . . . . 64.23 110.93 -171.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.86 125.05 34.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 C-N-CA 125.474 1.51 . . . . 74.43 107.145 171.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -104.01 135.25 45.87 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.485 1.114 . . . . 72.22 110.431 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -116.16 122.63 5.6 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 111.14 -0.784 . . . . 65.11 111.14 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.676 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 39.8 p90 -143.92 -175.89 4.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.278 0.631 . . . . 75.1 110.775 -171.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -121.56 142.49 50.04 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.997 0.919 . . . . 70.43 109.741 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.655 ' HB2' ' HD1' ' A' ' 100' ' ' HIS . 16.5 mt -149.05 129.28 13.69 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.529 1.132 . . . . 75.42 108.609 175.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.12 -104.02 1.03 Allowed Glycine 0 C--N 1.35 1.331 0 O-C-N 123.538 0.524 . . . . 62.12 113.047 173.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -108.52 -18.26 13.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.43 1.092 . . . . 75.44 110.52 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 m -133.55 154.78 50.59 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 122.156 0.979 . . . . 70.32 113.398 -163.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -85.61 124.9 32.68 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.16 -1.382 . . . . 74.51 108.125 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.655 ' HD1' ' HB2' ' A' ' 95' ' ' LEU . 37.7 m80 -125.58 147.65 49.21 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.793 0.837 . . . . 75.12 109.24 -171.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.32 162.06 16.51 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.909 -0.775 . . . . 71.33 108.909 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.676 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 4.5 tp -147.35 128.65 14.81 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 109.244 -0.65 . . . . 75.4 109.244 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.0 m -87.15 123.04 31.77 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.108 0.48 . . . . 74.22 110.458 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -101.55 124.07 46.61 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.442 1.097 . . . . 63.23 109.701 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.456 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 25.6 m-85 -96.69 175.93 6.19 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.658 0.783 . . . . 73.21 110.084 175.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.57 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 72.4 ttt180 -128.97 129.88 45.99 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.707 -0.849 . . . . 75.23 108.707 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.686 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 15.3 t -82.16 152.93 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 108.836 -0.801 . . . . 73.54 108.836 175.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.26 114.48 6.77 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 122.888 0.475 . . . . 54.13 110.462 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.96 28.01 47.61 Favored Glycine 0 N--CA 1.475 1.245 0 CA-C-N 116.337 -0.392 . . . . 64.51 112.427 171.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.686 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -80.71 175.98 10.2 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.039 1.336 . . . . 74.54 112.474 -171.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 79.3 p -113.81 -34.43 5.47 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.626 -0.879 . . . . 75.14 108.626 161.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.6 m -121.67 153.45 38.15 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.427 -1.261 . . . . 74.14 110.984 -173.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 19.6 mt -83.3 140.52 32.42 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.712 1.205 . . . . 72.22 110.528 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -92.32 98.1 11.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.779 1.232 . . . . 75.24 108.856 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.4 t -107.77 107.18 60.01 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 122.454 0.302 . . . . 70.34 110.217 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -81.14 153.72 18.96 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.966 2.444 . . . . 73.35 110.822 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -168.64 159.46 10.02 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 121.638 0.732 . . . . 74.23 112.212 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.406 HG23 ' HG2' ' A' ' 170' ' ' PRO . 4.3 p -134.31 151.8 51.45 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.784 -1.553 . . . . 75.34 108.928 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.457 ' CG ' HH22 ' A' ' 132' ' ' ARG . 2.9 m-20 -117.04 -161.86 0.83 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.505 1.122 . . . . 74.52 110.207 -168.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -79.05 -34.24 43.93 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.157 0.983 . . . . 73.12 108.943 155.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.2 m -59.2 -30.82 68.5 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.359 1.464 . . . . 64.41 111.611 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.635 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 14.2 p -70.92 -49.72 42.64 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.064 0.945 . . . . 73.54 111.075 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.57 -18.33 60.59 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 115.652 -0.704 . . . . 72.04 111.387 -177.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -84.5 -9.06 58.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.258 0.623 . . . . 70.22 110.614 172.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.64 6.72 86.97 Favored Glycine 0 C--N 1.352 1.434 0 N-CA-C 115.571 0.989 . . . . 64.01 115.571 169.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -77.57 -44.94 26.83 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 117.843 0.821 . . . . 73.45 109.981 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.738 ' HA ' ' HA ' ' A' ' 186' ' ' VAL . 75.3 p -111.58 155.05 23.93 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.116 0.966 . . . . 73.11 110.522 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.427 ' HB3' ' HD2' ' A' ' 132' ' ' ARG . 7.5 t80 -53.31 104.89 0.11 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.854 1.262 . . . . 70.04 112.469 -169.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.635 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 0.0 OUTLIER -63.32 -25.49 68.33 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.608 1.163 . . . . 75.13 112.369 -174.632 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -77.38 -6.47 53.45 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 115.623 -0.717 . . . . 70.04 111.745 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 128.72 161.74 10.75 Favored Glycine 0 C--N 1.347 1.143 0 CA-C-N 116.359 -0.382 . . . . 73.04 112.921 170.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.614 ' HE ' ' HB ' ' A' ' 127' ' ' THR . 0.0 OUTLIER -136.67 167.12 22.02 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.882 0.873 . . . . 72.32 108.893 169.144 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -118.49 164.57 15.08 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.705 0.764 . . . . 74.43 111.646 -175.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.541 ' HA ' ' HD1' ' A' ' 155' ' ' TYR . 1.6 tt -147.44 119.24 8.09 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 105.889 -1.893 . . . . 61.21 105.889 171.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.472 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 3.7 p30 -86.54 112.21 21.33 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.745 -1.206 . . . . 73.45 107.745 171.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 66.7 t -105.86 120.5 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.917 -0.771 . . . . 74.24 108.917 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -78.33 120.94 82.99 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 108.252 -1.018 . . . . 72.43 108.252 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.1 -31.3 95.25 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.855 2.37 . . . . 75.31 112.578 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 47.82 36.37 5.81 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.546 1.138 . . . . 74.05 112.678 -176.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 55.82 42.07 84.98 Favored Glycine 0 C--N 1.35 1.356 0 CA-C-N 115.777 -0.647 . . . . 71.42 114.543 -174.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -80.66 163.29 23.71 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.771 0.428 . . . . 71.55 111.038 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -146.92 175.58 10.55 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 108.96 -0.755 . . . . 73.23 108.96 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -58.16 112.07 3.62 Favored Glycine 0 C--N 1.348 1.22 0 N-CA-C 114.249 0.46 . . . . 65.4 114.249 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.37 -3.49 32.93 Favored Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.624 -0.542 . . . . 75.5 113.498 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -80.98 -179.88 7.54 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 117.429 0.615 . . . . 72.33 109.664 168.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -129.99 156.08 45.06 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.611 0.719 . . . . 63.24 109.264 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.65 158.69 41.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.582 -1.266 . . . . 74.44 107.582 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.87 115.78 24.51 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.814 -0.81 . . . . 71.3 108.814 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.2 mt -92.18 85.81 5.57 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 107.847 -1.168 . . . . 75.34 107.847 171.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.466 ' HB3' HD22 ' A' ' 153' ' ' LEU . 3.5 m-20 -74.81 93.71 2.66 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 113.73 -1.577 . . . . 71.3 108.053 173.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.613 ' HB3' HG23 ' A' ' 180' ' ' ILE . 22.1 m-85 -74.29 -19.93 60.31 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 116.096 -0.502 . . . . 72.32 109.848 173.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 59' ' ' ARG . 8.8 p30 -64.69 -24.12 67.47 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.223 0.609 . . . . 60.12 111.014 173.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 150' ' ' ASP . 2.3 mm? -77.98 -24.26 48.09 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.718 0.807 . . . . 73.22 111.738 172.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.96 125.76 3.01 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 125.34 1.456 . . . . 72.24 113.851 -165.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.712 ' HA ' ' HG3' ' A' ' 184' ' ' GLU . 8.4 m-85 -103.47 162.77 12.75 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 114.083 -1.417 . . . . 75.23 111.206 -164.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -100.01 152.14 37.72 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.169 -0.923 . . . . 75.54 110.71 -173.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -81.21 134.54 9.2 Favored 'Trans proline' 0 CA--C 1.552 1.388 0 C-N-CA 122.829 2.352 . . . . 73.04 109.375 156.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -75.79 -5.65 46.86 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.431 0.692 . . . . 74.31 112.024 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 29.4 m -54.52 -36.29 64.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.869 0.868 . . . . 74.21 110.019 165.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.02 -36.01 72.24 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 114.998 -1.001 . . . . 75.23 110.884 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -89.65 12.62 16.31 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.286 0.634 . . . . 74.14 111.135 -174.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.24 -33.57 6.22 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-N 116.093 -0.503 . . . . 51.14 113.366 168.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -57.44 124.16 35.06 Favored Glycine 0 C--N 1.348 1.237 0 N-CA-C 111.312 -0.715 . . . . 74.41 111.312 172.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 51.0 m -81.77 78.82 8.45 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.528 0.68 . . . . 71.55 110.84 -170.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -101.18 -175.46 2.87 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 114.898 -1.047 . . . . 73.23 110.43 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 26.9 p -103.94 122.69 45.73 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.83 0.852 . . . . 72.43 109.727 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 36.4 t -109.6 113.78 26.85 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.659 -1.237 . . . . 73.22 107.659 171.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . . . -74.32 118.49 17.33 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.188 0.595 . . . . 73.11 109.529 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.47 118.28 26.88 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 124.528 1.131 . . . . 72.22 110.064 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.406 ' HG2' HG23 ' A' ' 118' ' ' THR . 17.5 Cg_exo -67.46 133.47 30.22 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.986 2.457 . . . . 73.55 110.848 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.78 170.59 11.12 Favored 'Trans proline' 0 C--N 1.37 1.676 0 C-N-CA 122.636 2.224 . . . . 73.21 112.467 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -53.04 -28.87 26.55 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 114.101 1.149 . . . . 73.14 114.101 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.61 -21.97 61.04 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 120.831 0.348 . . . . 64.22 111.469 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.508 ' HA ' HD13 ' A' ' 102' ' ' LEU . 16.0 m120 -96.67 -0.01 49.06 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.248 0.619 . . . . 74.22 111.855 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -92.91 110.06 21.51 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.3 -0.63 . . . . 75.14 109.3 172.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 30.1 m -95.46 132.09 28.33 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 123.861 0.864 . . . . 73.11 110.007 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -74.79 69.53 5.35 Favored 'Trans proline' 0 C--N 1.369 1.617 0 C-N-CA 122.775 2.317 . . . . 75.33 111.015 165.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -153.04 145.66 24.25 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.252 1.021 . . . . 73.3 108.979 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -95.0 104.71 16.59 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.191 0.597 . . . . 72.24 109.735 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . 0.613 HG23 ' HB3' ' A' ' 151' ' ' PHE . 3.9 mp -105.79 94.68 3.26 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 N-CA-C 108.301 -1.0 . . . . 71.33 108.301 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 26.9 p -86.33 135.02 33.68 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.17 -1.418 . . . . 71.31 107.17 165.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.442 ' HB3' ' HD3' ' A' ' 185' ' ' ARG . . . -170.14 -160.1 0.22 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 119.413 -0.327 . . . . 71.15 110.433 -161.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -52.78 -157.07 0.01 OUTLIER Glycine 0 CA--C 1.544 1.89 0 N-CA-C 115.37 0.908 . . . . 45.34 115.37 173.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.712 ' HG3' ' HA ' ' A' ' 155' ' ' TYR . 4.6 pt-20 -53.05 99.8 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.828 0.851 . . . . 74.34 112.085 -173.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . 0.442 ' HD3' ' HB3' ' A' ' 182' ' ' ALA . 0.0 OUTLIER -169.33 118.67 0.66 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.537 0.735 . . . . 75.35 110.22 171.659 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.738 ' HA ' ' HA ' ' A' ' 127' ' ' THR . 25.0 m -148.91 168.37 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 C-N-CA 124.239 1.016 . . . . 65.2 109.326 158.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.44 -178.57 3.57 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.121 0.969 . . . . 74.11 111.175 177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -144.21 -47.74 0.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.051 -1.463 . . . . 65.01 107.051 -174.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.53 -45.12 55.55 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.736 -1.12 . . . . 64.34 109.639 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.49 -30.27 27.3 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.292 0.637 . . . . 72.03 110.47 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--O 1.254 1.308 0 N-CA-C 109.305 -0.628 . . . . 64.22 109.305 177.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptp . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 109.778 -0.452 . . . . 71.22 109.778 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.573 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 35.5 t -159.97 -53.94 0.01 OUTLIER Pre-proline 0 CA--C 1.56 1.338 0 C-N-CA 123.322 0.649 . . . . 52.43 109.702 175.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' A' ' 2' ' ' SER . 3.0 Cg_exo -78.88 162.13 26.73 Favored 'Trans proline' 0 C--N 1.392 2.827 0 C-N-CA 121.752 1.635 . . . . 72.34 110.541 165.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.16 137.35 95.65 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 109.369 -0.604 . . . . 74.13 109.369 173.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.438 ' HB2' ' O ' ' A' ' 146' ' ' GLU . 16.5 Cg_exo -54.34 126.22 21.5 Favored 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 123.096 2.531 . . . . 71.54 112.189 -175.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 63.9 mt -167.74 -55.93 0.01 OUTLIER Pre-proline 0 CA--C 1.561 1.373 0 C-N-CA 126.189 1.796 . . . . 64.24 108.759 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 40.8 Cg_endo -85.29 30.12 0.52 Allowed 'Trans proline' 0 C--N 1.408 3.659 0 C-N-CA 122.504 2.136 . . . . 73.23 112.539 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.5 m -67.85 -26.24 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 115.625 -0.716 . . . . 73.34 109.548 170.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.5 t -95.23 31.61 1.9 Allowed 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.931 1.292 . . . . 75.31 110.67 169.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 40.16 -150.15 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.846 1.425 . . . . 74.54 114.846 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -111.21 152.38 27.16 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 106.737 -1.579 . . . . 73.34 106.737 165.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -36.26 -50.66 0.75 Allowed 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 115.803 1.779 . . . . 72.24 115.803 -163.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -74.85 -45.41 43.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.799 0.44 . . . . 54.42 110.753 -174.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.74 -33.01 74.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.102 0.561 . . . . 72.44 110.371 178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.522 ' O ' HG13 ' A' ' 19' ' ' ILE . 21.5 t90 -62.98 -58.33 7.71 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.232 1.413 . . . . 74.45 108.793 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -50.74 -46.08 59.06 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 124.711 1.257 . . . . 74.34 111.046 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.36 96.94 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.297 0.639 . . . . 73.21 111.891 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -65.33 -40.29 93.48 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.877 0.471 . . . . 62.43 110.806 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 15' ' ' TRP . 63.3 mt -61.29 -49.32 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 123.893 0.745 . . . . 75.14 109.896 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.99 -34.93 79.22 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 124.165 0.916 . . . . 72.51 111.445 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.07 -35.26 77.91 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.217 0.607 . . . . 32.12 110.514 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -70.98 -37.6 72.75 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.601 0.761 . . . . 73.31 110.285 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.546 ' HD2' ' HB2' ' A' ' 51' ' ' TYR . 18.4 mmt180 -63.58 -45.55 89.88 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 109.512 -0.551 . . . . 74.51 109.512 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.85 -38.8 92.19 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.845 -0.616 . . . . 63.22 110.893 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.56 -50.76 72.05 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 123.913 0.885 . . . . 62.15 112.004 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.1 -50.52 54.39 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.644 -0.502 . . . . 74.22 109.644 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -36.57 37.63 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.367 0.667 . . . . 74.54 112.522 178.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -84.5 -33.81 23.48 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 118.899 -0.572 . . . . 74.22 111.432 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -56.05 -62.07 1.96 Allowed 'General case' 0 N--CA 1.499 1.975 0 C-N-CA 123.782 0.833 . . . . 75.32 111.948 -173.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.53 -13.53 61.05 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.727 0.64 . . . . 74.13 112.727 -176.065 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.28 -39.05 13.75 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.785 0.434 . . . . 64.13 111.137 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.3 p -112.48 -58.51 2.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.785 0.434 . . . . 74.15 111.501 -171.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -63.88 133.65 53.7 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 121.394 0.616 . . . . 75.13 112.6 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.64 -24.86 67.72 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.485 1.514 . . . . 51.33 113.736 -164.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -70.03 -14.39 62.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.536 0.939 . . . . 74.15 113.536 -167.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.1 m -156.56 85.72 3.02 Favored Pre-proline 0 N--CA 1.479 0.997 0 N-CA-C 108.104 -1.073 . . . . 73.43 108.104 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -84.01 125.35 3.59 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 122.353 2.035 . . . . 72.2 112.563 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.443 HG13 ' HB2' ' A' ' 30' ' ' LEU . 52.8 mt -69.17 129.7 91.79 Favored Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 108.697 -0.853 . . . . 74.21 108.697 172.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -47.22 136.36 18.84 Favored 'Trans proline' 0 C--N 1.386 2.514 0 C-N-CA 123.673 2.915 . . . . 63.03 113.225 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -51.14 -32.84 41.5 Favored 'Trans proline' 0 C--N 1.386 2.521 0 C-N-CA 124.123 3.215 . . . . 73.34 114.696 -170.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.84 -51.19 65.8 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.961 0.504 . . . . 55.13 112.022 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -71.46 -36.39 71.2 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.323 0.649 . . . . 62.21 110.377 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.532 ' HA ' ' HB2' ' A' ' 46' ' ' PHE . 57.3 ttt-85 -71.99 -22.74 61.38 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.914 -1.039 . . . . 75.53 111.13 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.31 -44.94 72.5 Favored Glycine 0 C--N 1.347 1.183 0 N-CA-C 111.477 -0.649 . . . . 72.32 111.477 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.21 27.98 4.32 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.905 0.882 . . . . 74.52 111.274 174.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.532 ' HB2' ' HA ' ' A' ' 43' ' ' ARG . 86.9 t80 -64.96 104.32 0.85 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.082 0.553 . . . . 75.2 109.563 176.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -93.13 -17.48 23.72 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.015 -0.993 . . . . 71.22 108.761 168.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.55 -147.37 18.8 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 108.352 -1.899 . . . . 61.13 108.352 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -152.7 170.6 19.85 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.003 0.921 . . . . 75.13 108.693 176.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -73.65 113.04 10.33 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.438 -0.949 . . . . 74.35 108.438 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.546 ' HB2' ' HD2' ' A' ' 23' ' ' ARG . 19.7 p90 -119.86 149.88 41.37 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.563 -1.273 . . . . 75.05 107.563 173.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -84.98 147.67 26.59 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.758 0.423 . . . . 73.11 110.369 -171.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.486 ' N ' ' HA2' ' A' ' 183' ' ' GLY . 28.7 t70 -97.0 159.37 14.95 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.143 0.577 . . . . 71.04 110.08 -172.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.492 HG13 HG23 ' A' ' 19' ' ' ILE . 3.9 mp -74.36 138.79 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 124.168 0.987 . . . . 74.13 109.903 -172.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -162.59 128.61 3.43 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.559 0.537 . . . . 74.54 110.186 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.64 -23.09 45.98 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.915 0.886 . . . . 71.12 112.791 -174.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -86.91 -25.64 24.31 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.624 0.37 . . . . 73.44 110.677 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -89.9 19.1 5.05 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.385 0.674 . . . . 70.33 111.375 174.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -113.5 110.95 21.11 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 107.559 -1.274 . . . . 75.24 107.559 159.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.0 m -103.13 158.6 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 N-CA-C 109.546 -0.539 . . . . 74.43 109.546 177.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.02 119.79 35.13 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 107.982 -1.118 . . . . 64.23 107.982 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -115.52 142.31 46.89 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.261 1.024 . . . . 55.43 110.158 -172.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -74.99 114.47 13.51 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.496 -0.557 . . . . 75.12 109.496 177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -78.56 119.15 21.43 Favored 'General case' 0 C--O 1.251 1.143 0 N-CA-C 108.56 -0.904 . . . . 71.54 108.56 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -116.48 106.58 48.37 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 106.969 -1.493 . . . . 74.21 106.969 168.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.35 148.68 92.64 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 121.862 1.708 . . . . 74.31 110.324 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.36 101.13 0.54 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.893 -0.78 . . . . 71.43 108.893 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -57.75 -31.15 66.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.914 1.286 . . . . 71.31 111.035 -177.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -139.29 95.71 9.14 Favored Pre-proline 0 CA--C 1.556 1.191 0 CA-C-N 115.121 -0.945 . . . . 73.43 108.487 167.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.18 128.92 17.27 Favored 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 122.974 2.449 . . . . 74.04 112.477 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -124.29 144.9 49.72 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.753 0.821 . . . . 73.41 110.123 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.91 114.09 21.43 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.04 -0.726 . . . . 73.05 109.04 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 20.4 m -105.19 157.66 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.052 0.941 . . . . 72.31 109.188 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.544 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 31.9 mt-10 -112.23 106.27 14.8 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.595 0.758 . . . . 71.43 109.274 -174.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.07 122.66 39.14 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.022 -1.473 . . . . 75.11 107.022 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -61.39 146.92 46.64 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.191 -0.67 . . . . 74.12 109.191 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 167' ' ' CYS . 63.8 p -114.35 158.61 21.25 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.266 0.484 . . . . 74.23 110.527 -174.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.0 p -73.64 -20.54 60.55 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 115.274 -0.876 . . . . 72.0 110.152 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 165' ' ' PHE . 75.8 ttt180 -76.84 -26.74 54.65 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.706 1.202 . . . . 70.33 111.423 175.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.01 -122.24 2.06 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 118.292 -1.282 . . . . 75.32 111.902 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -43.9 140.79 4.72 Favored 'Trans proline' 0 C--N 1.39 2.741 0 C-N-CA 124.536 3.49 . . . . 62.41 114.908 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HB2' ' HB3' ' A' ' 74' ' ' GLU . 36.4 Cg_endo -61.52 146.82 96.66 Favored 'Trans proline' 0 C--N 1.381 2.267 0 C-N-CA 122.947 2.431 . . . . 74.01 114.114 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.78 132.36 47.57 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.763 1.225 . . . . 74.31 108.357 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.544 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 37.9 mt-10 -89.64 128.73 36.1 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.891 0.476 . . . . 74.03 110.564 -177.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.425 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 64.0 m-85 -131.42 136.18 47.79 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.463 -0.94 . . . . 72.21 108.463 176.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.9 m -82.53 142.08 32.11 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 108.881 -0.785 . . . . 73.4 108.881 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -78.99 113.5 17.16 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.567 -0.531 . . . . 72.24 109.567 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.76 -42.84 17.46 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.504 0.722 . . . . 73.25 110.701 176.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -163.6 176.03 10.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.439 -0.801 . . . . 75.24 111.898 -175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.6 126.63 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 125.207 1.403 . . . . 73.13 107.608 167.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.46 118.4 33.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.814 0.846 . . . . 75.32 109.672 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.37 113.75 4.69 Favored Glycine 0 C--N 1.34 0.778 0 N-CA-C 110.286 -1.125 . . . . 73.02 110.286 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -135.26 -174.98 3.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.617 0.767 . . . . 74.34 109.384 -172.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -138.39 159.25 42.55 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.207 -1.035 . . . . 65.33 108.207 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.5 tp -171.48 135.16 0.9 Allowed 'General case' 0 C--O 1.247 0.93 0 N-CA-C 108.316 -0.994 . . . . 74.34 108.316 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.16 -103.28 0.83 Allowed Glycine 0 C--N 1.346 1.116 0 O-C-N 123.237 0.336 . . . . 74.34 112.689 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -121.86 3.7 10.0 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.382 1.073 . . . . 73.42 110.875 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.0 m -128.49 135.73 49.84 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.73 0.641 . . . . 61.53 112.73 -167.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -93.33 110.39 21.93 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 108.111 -1.07 . . . . 75.43 108.111 168.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -130.52 159.45 37.07 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.647 0.379 . . . . 73.43 110.38 -166.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 p -113.83 156.62 23.56 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.297 0.639 . . . . 71.43 111.067 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.4 tp -140.49 117.75 11.33 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.873 -1.158 . . . . 74.35 107.873 -175.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.8 m -87.12 125.94 34.46 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 118.326 0.512 . . . . 72.14 110.196 -173.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.423 ' HA ' HG23 ' A' ' 115' ' ' VAL . . . -99.23 127.3 45.2 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.52 1.128 . . . . 72.41 109.958 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.425 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 57.3 m-85 -107.58 145.23 33.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.565 0.746 . . . . 73.32 111.572 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.5 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 46.2 ttt85 -94.88 122.0 37.06 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.772 1.629 . . . . 74.33 108.719 175.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.61 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 48.5 t -107.74 139.94 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.869 1.268 . . . . 73.4 109.746 -176.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -55.47 102.94 0.08 Allowed 'General case' 0 CA--C 1.561 1.388 0 CA-C-O 121.791 0.805 . . . . 75.2 111.482 173.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.69 27.58 29.07 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.016 -0.993 . . . . 70.04 114.099 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.61 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.3 OUTLIER -80.08 166.81 21.14 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 109.606 -0.516 . . . . 73.24 109.606 176.072 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.2 t -95.52 -42.74 8.29 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 121.572 -0.705 . . . . 75.05 109.356 169.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.4 m -135.09 167.67 20.54 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.61 1.164 . . . . 64.32 109.519 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.0 mt -75.97 147.72 38.64 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.335 0.654 . . . . 73.12 110.425 -165.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.76 105.13 16.43 Favored 'General case' 0 C--O 1.233 0.203 0 O-C-N 124.887 1.367 . . . . 74.22 107.648 -176.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.423 HG23 ' HA ' ' A' ' 104' ' ' ALA . 35.2 t -106.92 94.51 10.75 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 108.691 -0.855 . . . . 73.12 108.691 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.95 114.51 4.04 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 121.906 1.737 . . . . 71.52 108.488 169.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.417 ' HA ' HD21 ' A' ' 174' ' ' ASN . 10.1 p90 -133.75 172.35 12.89 Favored 'General case' 0 C--O 1.245 0.84 0 C-N-CA 123.583 0.753 . . . . 74.12 109.272 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.408 HG21 ' HG3' ' A' ' 170' ' ' PRO . 1.3 p -138.22 172.5 12.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.464 -1.244 . . . . 74.34 108.596 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -143.63 -163.72 1.72 Allowed 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 124.053 0.941 . . . . 70.04 108.883 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.12 -32.97 59.43 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 122.161 -0.337 . . . . 72.01 111.507 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.535 ' HA ' ' HB3' ' A' ' 124' ' ' ASP . 0.2 OUTLIER -70.61 -25.48 63.06 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.264 0.626 . . . . 65.52 111.975 -175.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.9 p -68.1 -50.84 52.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.373 0.669 . . . . 72.22 109.882 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.78 -28.38 68.97 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.354 -0.839 . . . . 64.45 110.197 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.535 ' HB3' ' HA ' ' A' ' 121' ' ' THR . 25.5 t70 -79.25 -9.27 59.53 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 125.092 1.357 . . . . 73.42 111.369 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 85.6 -7.6 75.88 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 115.039 0.776 . . . . 71.34 115.039 173.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -79.9 -15.34 57.52 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.983 0.513 . . . . 73.52 111.502 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.2 p -131.17 173.8 10.67 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.075 0.95 . . . . 72.11 108.49 164.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -68.84 108.58 3.51 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.257 0.623 . . . . 75.11 112.209 -169.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.7 -40.23 83.05 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.252 1.421 . . . . 71.13 113.553 -171.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -78.81 -1.86 36.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.166 0.586 . . . . 72.45 111.79 -176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 138.87 157.65 7.42 Favored Glycine 0 C--N 1.349 1.281 0 N-CA-C 112.752 -0.139 . . . . 61.11 112.752 169.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.651 HH21 ' HB2' ' A' ' 154' ' ' ALA . 11.2 ptm180 -135.68 141.8 45.02 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.124 -1.065 . . . . 75.15 108.124 169.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -94.67 160.27 14.7 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.802 0.441 . . . . 74.31 110.389 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.2 129.52 39.84 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.731 -1.211 . . . . 73.13 107.731 173.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.53 104.05 16.0 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 107.776 -1.194 . . . . 75.23 107.776 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 62.1 t -115.75 124.68 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 122.93 0.492 . . . . 74.12 110.89 -170.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.5 117.82 69.64 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 108.804 -0.813 . . . . 63.54 108.804 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.11 -30.47 16.17 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.49 2.127 . . . . 74.42 113.321 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 59.38 26.12 14.96 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.252 1.021 . . . . 73.53 112.303 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.73 40.58 49.01 Favored Glycine 0 C--N 1.35 1.312 0 CA-C-N 116.045 -0.525 . . . . 75.45 113.578 -168.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.03 148.42 51.03 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.06 0.544 . . . . 71.22 111.334 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.02 170.05 8.54 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 108.838 -0.801 . . . . 75.2 108.838 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -59.73 104.2 0.54 Allowed Glycine 0 C--N 1.348 1.207 0 O-C-N 123.405 0.441 . . . . 63.24 112.809 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.89 2.63 32.05 Favored Glycine 0 N--CA 1.467 0.737 0 CA-C-O 119.432 -0.649 . . . . 74.15 114.535 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.87 175.74 10.16 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 108.412 -0.958 . . . . 73.42 108.412 165.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 5' ' ' PRO . 12.7 pt-20 -128.45 145.63 51.04 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.168 0.509 . . . . 73.31 111.124 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.06 150.42 32.74 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 C-N-CA 124.934 1.294 . . . . 72.4 107.573 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.34 117.02 19.94 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.894 0.477 . . . . 63.13 110.755 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.0 mt -92.29 86.54 5.75 Favored 'General case' 0 C--O 1.248 1.024 0 N-CA-C 107.85 -1.167 . . . . 75.52 107.85 170.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.22 95.76 7.04 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 113.94 -1.482 . . . . 74.45 110.166 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -66.76 -22.39 66.04 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.386 -0.598 . . . . 74.22 109.386 172.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -71.57 -25.42 62.19 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.416 -0.811 . . . . 74.13 110.838 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.481 ' HA ' HH22 ' A' ' 23' ' ' ARG . 1.6 mm? -81.26 -25.52 36.53 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.441 0.697 . . . . 70.24 112.14 176.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.651 ' HB2' HH21 ' A' ' 132' ' ' ARG . . . -47.7 150.46 1.03 Allowed 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.824 1.327 . . . . 62.31 113.624 -170.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -119.05 169.03 10.26 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.108 0.963 . . . . 74.23 110.91 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -102.46 151.03 38.14 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.076 0.951 . . . . 72.23 110.371 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -64.18 157.05 55.79 Favored 'Trans proline' 0 C--N 1.373 1.852 0 C-N-CA 122.838 2.359 . . . . 73.33 113.059 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -65.97 -28.67 69.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.806 0.842 . . . . 63.52 112.704 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 11.9 m -62.33 -24.95 67.62 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.496 0.718 . . . . 75.53 112.47 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -74.58 -1.79 23.06 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.147 0.979 . . . . 73.31 112.938 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -91.24 0.35 57.54 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.737 0.815 . . . . 75.05 110.632 -175.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 93.01 32.64 7.78 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 116.218 -0.446 . . . . 62.41 112.599 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.16 166.93 25.61 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 112.422 -0.271 . . . . 43.13 112.422 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 67.2 m -91.92 70.59 5.55 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.968 0.907 . . . . 60.15 109.949 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 76.6 m-85 -95.65 179.29 5.18 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 114.969 -1.014 . . . . 73.52 108.667 173.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.1 m -102.38 114.8 29.29 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.269 0.628 . . . . 73.41 109.643 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 77' ' ' THR . 34.6 t -104.23 113.97 27.88 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.337 -0.986 . . . . 75.13 108.337 171.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -70.92 104.51 2.97 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.415 -0.957 . . . . 71.14 108.415 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.13 134.15 84.24 Favored Pre-proline 0 CA--C 1.548 0.904 0 O-C-N 124.352 1.033 . . . . 72.4 110.385 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.408 ' HG3' HG21 ' A' ' 118' ' ' THR . 93.0 Cg_endo -75.99 133.14 14.82 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.343 2.028 . . . . 75.1 111.715 -175.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.3 152.91 36.36 Favored 'Trans proline' 0 C--N 1.374 1.881 0 C-N-CA 122.391 2.06 . . . . 75.2 112.547 173.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -58.99 -26.76 64.78 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.799 0.84 . . . . 74.44 112.144 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.31 -25.06 66.87 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.484 1.114 . . . . 73.33 112.579 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.417 HD21 ' HA ' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -118.72 29.26 7.83 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.697 0.76 . . . . 73.15 110.83 -177.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -92.2 102.3 14.81 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 107.325 -1.361 . . . . 75.42 107.325 165.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.55 126.66 92.94 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.637 0.775 . . . . 65.22 109.367 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -81.48 43.61 1.56 Allowed 'Trans proline' 0 C--N 1.371 1.728 0 C-N-CA 122.756 2.304 . . . . 75.21 112.483 174.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -143.21 148.7 36.89 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.498 1.519 . . . . 72.42 107.053 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.527 ' HB1' HG21 ' A' ' 121' ' ' THR . . . -94.75 122.59 37.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.145 0.578 . . . . 75.42 109.985 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.73 104.76 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 108.182 -1.044 . . . . 75.21 108.182 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' THR . . . . . 0.489 ' HB ' HG23 ' A' ' 121' ' ' THR . 10.1 t -117.67 113.03 21.3 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 108.835 -0.802 . . . . 75.42 108.835 171.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -155.29 112.7 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 105.84 -1.911 . . . . 75.13 105.84 166.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.486 ' HA2' ' N ' ' A' ' 53' ' ' ASP . . . 170.38 -171.82 43.76 Favored Glycine 0 C--N 1.34 0.762 0 O-C-N 123.512 0.508 . . . . 74.11 113.424 -176.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -76.38 122.86 25.08 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 106.637 -1.616 . . . . 64.42 106.637 155.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 152.94 27.67 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.868 0.867 . . . . 73.01 111.926 -173.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 84.9 t -113.33 147.7 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 107.302 -1.37 . . . . 65.32 107.302 -170.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 191' ' ' GLU . 14.4 m-20 -108.33 121.5 45.04 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.402 0.681 . . . . 74.31 110.786 -173.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -79.46 40.13 0.42 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.122 0.969 . . . . 73.52 111.532 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -145.26 -53.78 0.29 Allowed 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.02 0.928 . . . . 72.21 109.266 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.29 -44.55 52.28 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.685 -0.689 . . . . 72.13 111.836 -175.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 187' ' ' ASP . 5.6 mm-40 . . . . . 0 N--CA 1.484 1.273 0 O-C-N 123.618 0.574 . . . . 74.53 111.76 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 110.232 -0.284 . . . . 72.23 110.232 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.442 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 42.4 t -175.92 -46.14 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 124.55 1.14 . . . . 72.43 110.012 -176.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.442 ' HD3' ' HB3' ' A' ' 2' ' ' SER . 39.0 Cg_exo -65.24 176.74 3.0 Favored 'Trans proline' 0 C--N 1.393 2.912 0 C-N-CA 122.241 1.961 . . . . 75.21 112.521 168.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.9 tt -62.6 136.12 95.94 Favored Pre-proline 0 CA--C 1.568 1.648 0 CA-C-N 115.801 -0.636 . . . . 74.23 109.29 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -66.56 127.16 16.7 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 121.868 1.712 . . . . 73.31 110.776 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mt 179.52 -47.43 0.0 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.814 1.246 . . . . 71.33 108.359 -166.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -79.79 27.1 0.55 Allowed 'Trans proline' 0 C--N 1.402 3.346 0 C-N-CA 122.215 1.943 . . . . 75.21 112.384 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -66.4 -17.15 22.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 C-N-CA 123.844 0.857 . . . . 74.23 110.346 171.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 148' ' ' ALA . 12.4 t -85.6 30.26 0.65 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.723 1.209 . . . . 75.12 110.662 168.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 44.48 -150.34 0.05 Allowed 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 114.073 1.138 . . . . 71.13 114.073 -173.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -120.87 150.27 41.31 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 106.072 -1.825 . . . . 71.01 106.072 172.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -38.47 -44.71 0.96 Allowed 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 115.981 1.845 . . . . 74.02 115.981 -163.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -67.66 -53.29 29.01 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.492 0.317 . . . . 73.43 110.702 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -62.56 -33.98 76.03 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.863 0.865 . . . . 74.33 111.461 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.453 ' O ' HG13 ' A' ' 19' ' ' ILE . 31.5 t90 -69.0 -52.74 25.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.835 1.254 . . . . 75.31 109.816 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.6 ttp-105 -58.14 -37.09 73.97 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.208 0.942 . . . . 74.41 110.325 175.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.31 90.63 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.692 0.62 . . . . 73.13 112.281 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 18.4 mmt180 -63.55 -48.25 78.26 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 118.389 0.541 . . . . 74.02 110.252 176.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.568 HG22 HG13 ' A' ' 54' ' ' ILE . 33.2 mt -60.69 -48.14 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 123.597 0.56 . . . . 72.12 110.841 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.79 -43.95 73.32 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.652 1.22 . . . . 72.52 111.645 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.73 97.18 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.515 0.726 . . . . 75.12 111.667 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -76.78 -26.83 54.92 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.553 0.741 . . . . 74.45 110.992 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -71.57 -53.47 13.67 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.136 -1.061 . . . . 74.43 108.136 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.98 98.02 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 124.857 1.348 . . . . 74.55 111.032 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.47 -58.3 8.7 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 123.959 0.787 . . . . 74.15 110.655 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -30.25 70.56 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.598 0.562 . . . . 75.13 111.242 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' HA ' HD22 ' A' ' 49' ' ' LEU . 11.6 t70 -66.66 -55.61 14.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.149 0.579 . . . . 75.23 109.973 177.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HA ' ' HZ ' ' A' ' 46' ' ' PHE . 11.4 pt-20 -79.81 -13.94 59.05 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 118.96 -0.543 . . . . 75.12 111.693 -176.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 35.3 t80 -49.47 -55.43 13.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.847 1.259 . . . . 71.42 111.795 -170.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.738 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.96 -11.56 60.83 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 114.362 -1.29 . . . . 74.23 111.37 -172.13 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.57 -56.33 3.06 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.67 0.788 . . . . 62.34 110.934 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.5 p -105.31 9.16 33.97 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.323 1.049 . . . . 61.34 112.95 -166.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 10.0 m170 -126.64 119.41 26.97 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.16 -0.681 . . . . 70.0 109.16 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.26 -14.21 60.17 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.116 1.366 . . . . 65.03 112.81 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -61.07 -33.23 73.01 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.697 0.799 . . . . 72.04 112.408 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 69.4 m -159.26 92.62 1.85 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 107.904 -1.147 . . . . 74.53 107.904 -173.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.69 149.17 60.52 Favored 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 122.384 2.056 . . . . 75.21 112.369 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.738 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 16.0 tt -87.91 139.82 31.02 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 107.985 -1.117 . . . . 73.55 107.985 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.64 141.72 91.16 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.107 1.871 . . . . 62.15 111.672 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -59.48 -27.42 84.93 Favored 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 123.421 2.747 . . . . 65.54 114.524 -166.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.36 83.0 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.267 0.227 . . . . 74.25 110.452 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.511 ' HB2' HG12 ' A' ' 38' ' ' ILE . 31.6 m-20 -73.46 -37.6 65.74 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 122.863 0.465 . . . . 74.23 110.05 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HB2' HG21 ' A' ' 38' ' ' ILE . 11.5 tpt180 -57.51 -32.43 67.03 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.31 1.044 . . . . 75.31 111.664 175.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.67 -44.52 96.27 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 123.541 0.526 . . . . 74.45 112.086 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.58 15.88 15.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.478 0.711 . . . . 72.02 112.198 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.431 ' HZ ' ' HA ' ' A' ' 28' ' ' GLU . 82.9 t80 -74.14 103.23 4.51 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.138 0.494 . . . . 71.31 110.106 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -139.82 11.34 2.45 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.607 1.163 . . . . 75.23 109.083 173.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 130.65 145.92 5.8 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 110.586 -1.005 . . . . 61.5 110.586 -169.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -131.96 -169.21 2.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.749 0.819 . . . . 75.4 110.576 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -73.31 119.68 17.88 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.66 0.743 . . . . 70.21 112.9 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -147.95 142.98 27.0 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 106.912 -1.514 . . . . 72.42 106.912 161.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.601 ' HB2' ' HA2' ' A' ' 183' ' ' GLY . 14.6 m-85 -97.28 172.01 8.06 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.725 0.41 . . . . 73.12 110.347 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.33 171.33 10.11 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.946 0.779 . . . . 74.41 111.692 -171.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.568 HG13 HG22 ' A' ' 19' ' ' ILE . 3.6 mp -81.61 131.78 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 114.852 -1.067 . . . . 72.43 109.378 175.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -124.01 110.47 14.82 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.821 -0.807 . . . . 72.42 108.821 171.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.15 -21.47 56.53 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.112 0.965 . . . . 62.42 112.342 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.5 t -80.85 -19.33 44.78 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.875 0.47 . . . . 73.44 111.012 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.572 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 22.8 m-85 -85.79 16.81 3.75 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.456 0.702 . . . . 75.24 111.405 170.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -85.89 97.79 10.42 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 107.765 -1.198 . . . . 74.34 107.765 167.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.2 m -101.26 142.97 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 109.06 -0.719 . . . . 75.21 109.06 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.75 124.82 29.95 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.41 -0.959 . . . . 72.04 108.41 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.658 ' HB2' ' HB3' ' A' ' 91' ' ' LEU . . . -110.81 118.86 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.511 -0.551 . . . . 74.24 109.511 -175.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -74.25 111.94 9.92 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.535 -0.913 . . . . 72.21 108.535 -172.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -78.18 117.39 19.42 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-N 114.875 -1.057 . . . . 75.32 110.029 -172.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -118.92 114.47 35.37 Favored Pre-proline 0 C--O 1.217 -0.627 0 N-CA-C 107.324 -1.361 . . . . 73.23 107.324 168.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.23 152.87 80.08 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 121.853 1.702 . . . . 72.32 110.985 175.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.52 117.22 7.69 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.051 -0.722 . . . . 75.23 109.051 174.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -54.49 -35.91 63.61 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.306 1.004 . . . . 73.12 110.926 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -135.88 101.71 10.46 Favored Pre-proline 0 C--O 1.245 0.832 0 CA-C-N 115.133 -0.939 . . . . 75.42 108.937 168.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.75 124.09 11.12 Favored 'Trans proline' 0 C--N 1.372 1.787 0 C-N-CA 122.384 2.056 . . . . 72.41 111.862 173.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -132.85 156.55 46.98 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.706 0.802 . . . . 74.54 109.897 -174.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.13 108.98 13.03 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 123.216 0.606 . . . . 75.03 109.573 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.3 m -105.89 151.88 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 108.102 -1.073 . . . . 74.15 108.102 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 119.98 41.11 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.922 -0.77 . . . . 74.42 108.922 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -103.08 128.29 50.02 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.034 -1.469 . . . . 75.33 107.034 174.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.73 150.28 48.76 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.187 -0.671 . . . . 74.23 109.187 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.1 p -117.11 172.53 7.22 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 121.086 0.469 . . . . 72.01 110.761 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.5 p -89.79 -31.56 17.34 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.959 -1.018 . . . . 74.24 110.267 176.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 165' ' ' PHE . 37.5 ttt180 -73.77 -30.73 62.94 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.885 0.874 . . . . 74.51 112.499 -177.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.09 -122.74 1.09 Allowed Glycine 0 C--N 1.345 1.069 0 CA-C-O 118.701 -1.055 . . . . 73.03 113.04 -174.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -62.92 155.13 62.18 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 123.617 2.878 . . . . 74.51 113.204 -173.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.59 132.74 36.64 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.543 2.162 . . . . 73.0 112.472 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.49 117.23 27.29 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.174 -0.921 . . . . 75.34 108.879 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -89.9 130.23 36.15 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.571 0.348 . . . . 71.13 110.536 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.442 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 81.6 m-85 -131.53 153.37 49.9 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.093 0.957 . . . . 73.54 109.09 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.3 m -91.39 119.41 31.37 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 109.166 -0.679 . . . . 74.41 109.166 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -68.13 111.92 4.77 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.86 0.754 . . . . 74.5 109.3 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 106' ' ' ARG . . . -94.71 -39.64 10.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.0 0.52 . . . . 74.2 111.634 -171.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 104' ' ' ALA . . . -151.47 170.02 20.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.487 0.66 . . . . 75.05 110.612 -172.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.27 115.09 13.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 C-N-CA 125.866 1.666 . . . . 74.34 106.817 172.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . 2.6 mm? -90.16 128.65 36.4 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.427 0.691 . . . . 75.33 109.536 177.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.23 121.52 4.46 Favored Glycine 0 C--O 1.218 -0.848 0 N-CA-C 111.042 -0.823 . . . . 61.04 111.042 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.582 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 54.3 p90 -144.49 -173.74 4.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.24 0.616 . . . . 74.44 109.459 -172.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -133.15 146.73 51.84 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.076 0.465 . . . . 71.44 110.17 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 38.7 tp -142.83 135.22 27.54 Favored 'General case' 0 C--O 1.256 1.434 0 N-CA-C 107.066 -1.457 . . . . 74.32 107.066 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.48 -97.57 0.62 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 112.283 -0.327 . . . . 72.44 112.283 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -134.72 5.02 3.37 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.481 1.112 . . . . 71.25 110.303 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.8 m -128.7 149.98 50.45 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 112.146 0.425 . . . . 73.44 112.146 -168.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -87.97 124.53 33.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.517 -0.765 . . . . 74.22 109.443 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.455 ' CE1' ' HD2' ' A' ' 177' ' ' PRO . 96.3 m-70 -121.53 136.48 54.95 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.963 0.905 . . . . 70.33 109.017 -177.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 m -127.95 119.49 25.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.295 0.638 . . . . 74.44 109.33 -175.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -114.22 139.07 49.68 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.813 1.245 . . . . 74.03 108.595 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.3 m -90.74 130.48 36.72 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.386 -0.598 . . . . 64.22 109.386 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . . . -98.01 121.9 40.48 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.728 0.811 . . . . 62.35 108.92 175.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 65.6 m-85 -97.62 168.77 10.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.261 -0.644 . . . . 75.23 109.261 175.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.555 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 22.0 ttt180 -115.67 133.3 56.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.691 1.196 . . . . 75.53 108.066 -175.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.734 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 28.6 t -97.56 113.7 32.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 N-CA-C 107.054 -1.462 . . . . 73.23 107.054 166.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -55.58 125.98 23.39 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 122.932 0.493 . . . . 73.23 110.797 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 94.79 -34.01 5.02 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.627 -0.715 . . . . 61.21 112.327 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.734 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 11.1 tp10 -83.89 129.37 34.93 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.453 0.701 . . . . 73.33 110.055 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -75.56 -22.79 56.72 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.546 0.739 . . . . 74.45 111.831 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.2 m -85.91 140.72 30.12 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.848 0.459 . . . . 75.05 110.017 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.3 mt -82.14 141.51 33.02 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.282 0.633 . . . . 74.43 109.303 174.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -100.42 110.63 22.84 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.222 -1.029 . . . . 74.5 108.222 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.1 t -107.85 93.18 10.11 Favored Pre-proline 0 N--CA 1.47 0.536 0 N-CA-C 108.655 -0.868 . . . . 71.24 108.655 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.97 120.36 5.01 Favored 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.202 1.935 . . . . 64.44 109.749 171.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -138.0 171.89 13.75 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.966 0.906 . . . . 75.35 110.212 -176.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -138.61 169.01 18.55 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.67 1.188 . . . . 64.3 108.083 172.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 176' ' ' VAL . 3.8 p-10 -156.04 -163.29 1.45 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 123.693 0.62 . . . . 72.21 109.731 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -78.56 -35.15 46.41 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.727 0.694 . . . . 74.34 111.408 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.41 ' HG1' ' H ' ' A' ' 180' ' ' ILE . 23.5 m -59.61 -38.41 81.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.641 0.777 . . . . 73.34 111.333 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.554 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 57.4 p -66.02 -42.17 90.02 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 116.026 -0.533 . . . . 74.53 111.168 174.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.54 -15.2 62.75 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.685 0.794 . . . . 73.23 112.852 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -72.38 -22.42 61.14 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.849 0.314 . . . . 74.32 111.849 172.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.08 9.12 87.38 Favored Glycine 0 C--N 1.348 1.209 0 N-CA-C 111.177 -0.769 . . . . 74.53 111.177 -163.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -78.84 -28.59 44.34 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.316 1.446 . . . . 75.13 109.581 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 184' ' ' GLU . 27.2 p -137.11 -178.13 5.07 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.449 1.5 . . . . 74.33 107.59 164.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.51 ' HE1' ' HA ' ' A' ' 186' ' ' VAL . 15.1 m-85 -80.06 110.38 15.4 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 112.91 0.708 . . . . 75.43 112.91 -169.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.554 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 13.6 pt-20 -66.37 -17.95 65.07 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.374 1.07 . . . . 72.01 112.986 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.409 ' O ' HD11 ' A' ' 169' ' ' LEU . 72.3 m80 -73.38 -2.26 21.54 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.602 0.361 . . . . 75.1 111.866 177.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.471 ' O ' ' SG ' ' A' ' 167' ' ' CYS . . . 97.95 144.01 16.08 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 111.601 -0.6 . . . . 74.03 111.601 166.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.485 ' HD2' ' HB2' ' A' ' 128' ' ' TYR . 2.6 mmp_? -131.72 159.23 39.0 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.602 1.161 . . . . 74.44 108.572 -166.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.3 166.47 12.29 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.543 0.687 . . . . 74.45 110.796 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.4 tt -140.63 122.36 15.33 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 106.288 -1.745 . . . . 73.51 106.288 164.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -92.04 108.11 19.7 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.394 -0.965 . . . . 74.43 108.394 -176.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 51.9 t -113.17 127.16 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 115.675 -0.693 . . . . 74.52 109.831 -169.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.08 107.44 57.13 Favored Pre-proline 0 C--O 1.24 0.585 0 N-CA-C 107.947 -1.131 . . . . 74.32 107.947 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.497 ' HA ' HG13 ' A' ' 147' ' ' VAL . 88.6 Cg_endo -77.97 -8.25 16.59 Favored 'Trans proline' 0 C--N 1.364 1.374 0 C-N-CA 122.508 2.139 . . . . 72.24 113.636 -177.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.74 -90.76 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.172 1.389 . . . . 73.4 111.032 -174.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -141.74 53.32 0.64 Allowed Glycine 0 C--N 1.341 0.851 0 N-CA-C 111.856 -0.498 . . . . 74.1 111.856 173.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -80.14 139.01 37.0 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.275 0.63 . . . . 71.45 110.879 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -114.89 174.09 6.15 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 108.461 -0.94 . . . . 74.44 108.461 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.68 114.88 7.3 Favored Glycine 0 C--N 1.349 1.278 0 N-CA-C 111.905 -0.478 . . . . 51.04 111.905 176.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 112.66 -16.47 23.75 Favored Glycine 0 N--CA 1.468 0.789 0 O-C-N 123.729 0.311 . . . . 74.32 112.624 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -80.25 -170.5 2.55 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.817 -0.438 . . . . 63.44 109.817 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -147.39 160.99 41.92 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.432 0.634 . . . . 72.4 110.632 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.497 HG13 ' HA ' ' A' ' 138' ' ' PRO . 15.9 m -139.91 143.81 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.884 1.274 . . . . 72.24 108.109 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.456 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -77.8 115.98 17.97 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.905 0.383 . . . . 62.12 110.792 -173.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 14.8 mt -95.05 85.71 4.41 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 108.25 -1.019 . . . . 74.53 108.25 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.42 ' HB2' HD23 ' A' ' 153' ' ' LEU . 2.5 m-20 -75.31 102.82 5.21 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 107.6 -1.259 . . . . 74.33 107.6 167.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.572 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 26.6 m-85 -65.61 -16.37 63.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.28 0.632 . . . . 71.32 111.995 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -71.53 -17.85 62.3 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 122.14 0.176 . . . . 64.22 111.334 175.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 150' ' ' ASP . 2.9 mm? -93.05 13.46 20.73 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.273 0.629 . . . . 73.24 111.683 172.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.83 120.46 6.86 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.826 -0.435 . . . . 71.43 109.826 172.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -97.54 135.82 38.83 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.807 0.843 . . . . 74.42 110.028 -171.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -117.08 127.53 26.64 Favored Pre-proline 0 C--O 1.24 0.587 0 CA-C-N 114.976 -1.011 . . . . 72.43 108.976 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -48.47 164.03 0.23 Allowed 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 123.284 2.656 . . . . 73.44 113.892 166.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -75.08 0.68 15.29 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.786 -1.097 . . . . 75.43 113.037 -171.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 29.8 p -65.06 -22.67 67.0 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.444 0.698 . . . . 74.43 111.172 172.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.453 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . . . -82.21 -17.06 47.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.036 0.535 . . . . 53.43 110.676 174.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -101.44 -13.35 17.99 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.557 1.143 . . . . 73.42 110.375 -173.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 125.11 -26.98 5.46 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 119.799 -0.445 . . . . 62.21 113.481 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -90.47 142.14 16.19 Favored Glycine 0 N--CA 1.479 1.548 0 CA-C-N 117.607 0.703 . . . . 75.25 112.928 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 23.8 p -91.49 86.22 5.98 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.02 0.91 . . . . 73.53 109.999 -176.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 79' ' ' ARG . 96.7 m-85 -113.64 160.43 18.59 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.57 0.748 . . . . 75.42 110.825 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 20.5 p -71.6 140.72 49.9 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.926 0.89 . . . . 61.24 112.37 -171.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 131' ' ' GLY . 47.3 t -133.59 129.06 36.45 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.973 -0.751 . . . . 61.03 108.973 173.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.81 113.4 10.91 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 124.27 0.981 . . . . 65.0 109.433 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.409 HD11 ' O ' ' A' ' 130' ' ' HIS . 4.2 mm? -58.87 120.71 48.75 Favored Pre-proline 0 CA--C 1.545 0.782 0 O-C-N 124.125 0.891 . . . . 74.21 109.018 171.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.74 153.13 73.69 Favored 'Trans proline' 0 C--N 1.365 1.445 0 C-N-CA 122.463 2.108 . . . . 75.1 112.504 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.61 149.63 90.47 Favored 'Trans proline' 0 C--N 1.372 1.768 0 C-N-CA 121.93 1.754 . . . . 74.05 110.433 164.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -53.73 -27.25 27.27 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.9 1.074 . . . . 64.1 113.9 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -79.26 -17.65 54.31 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 122.92 0.488 . . . . 74.12 111.159 -178.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.59 4.73 30.87 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.111 0.565 . . . . 71.4 110.899 173.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -88.81 116.55 27.17 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 108.156 -1.053 . . . . 70.13 108.156 171.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 119' ' ' ASP . 58.7 t -92.34 114.0 60.98 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.39 1.076 . . . . 72.5 109.05 177.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.455 ' HD2' ' CE1' ' A' ' 100' ' ' HIS . 35.6 Cg_exo -67.23 58.42 0.64 Allowed 'Trans proline' 0 CA--C 1.563 1.926 0 C-N-CA 122.826 2.35 . . . . 73.52 113.422 167.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -148.83 146.16 27.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.679 1.191 . . . . 65.45 107.881 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -90.58 108.28 19.7 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.04 0.536 . . . . 70.41 109.939 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . 0.519 HG22 ' HB3' ' A' ' 151' ' ' PHE . 3.3 mp -96.8 97.05 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.16 -1.052 . . . . 74.02 108.16 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 18.4 p -95.38 65.6 2.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.149 0.976 . . . . 74.43 109.728 174.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -112.42 -163.98 0.89 Allowed 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 114.401 -1.272 . . . . 73.02 108.334 177.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.601 ' HA2' ' HB2' ' A' ' 52' ' ' PHE . . . -72.58 98.65 0.86 Allowed Glycine 0 C--N 1.354 1.575 0 C-N-CA 119.626 -1.274 . . . . 74.15 110.9 174.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.498 ' HB3' HG21 ' A' ' 127' ' ' THR . 0.1 OUTLIER -133.83 139.04 46.0 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 106.087 -1.82 . . . . 74.43 106.087 168.568 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -77.31 175.74 9.45 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.972 0.891 . . . . 71.42 112.058 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.51 ' HA ' ' HE1' ' A' ' 128' ' ' TYR . 10.9 p -170.2 165.87 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 113.533 -1.667 . . . . 73.21 108.047 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -153.94 134.1 13.28 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.135 -0.691 . . . . 75.04 109.135 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.71 83.3 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.963 0.905 . . . . 71.22 113.287 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -73.37 -43.94 59.62 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.938 0.495 . . . . 75.41 111.301 -174.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.494 ' HB2' ' HH ' ' A' ' 128' ' ' TYR . 4.1 mm? -75.6 -59.32 2.8 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.783 0.433 . . . . 74.32 110.384 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 C--O 1.247 0.947 0 N-CA-C 109.162 -0.681 . . . . 75.11 109.162 -174.77 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mtt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 109.891 -0.411 . . . . 72.51 109.891 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 m -132.95 80.39 60.61 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 123.295 0.638 . . . . 74.1 110.634 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -86.69 151.65 8.76 Favored 'Trans proline' 0 C--N 1.37 1.687 0 C-N-CA 122.701 2.267 . . . . 74.14 110.35 168.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.4 tt -64.27 127.31 91.92 Favored Pre-proline 0 CA--C 1.564 1.489 0 N-CA-C 108.55 -0.907 . . . . 73.31 108.55 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 146' ' ' GLU . 18.1 Cg_endo -65.56 126.88 16.91 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 122.587 2.191 . . . . 74.15 110.872 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.5 mt -154.82 -56.17 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 125.223 1.409 . . . . 70.41 108.975 -173.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -89.45 37.38 0.38 Allowed 'Trans proline' 0 C--N 1.397 3.09 0 C-N-CA 122.12 1.88 . . . . 73.54 111.349 176.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -61.7 -17.9 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.287 1.035 . . . . 75.22 111.056 170.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.91 105.42 17.56 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 105.664 -1.976 . . . . 70.34 105.664 158.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.02 -75.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.383 0.673 . . . . 64.45 111.215 -165.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -139.78 161.27 37.96 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 125.118 1.367 . . . . 75.33 107.986 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -51.38 -34.77 35.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.095 0.958 . . . . 70.2 112.57 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.32 -59.56 5.09 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.514 0.726 . . . . 71.41 110.576 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.42 94.25 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.11 0.964 . . . . 64.41 110.811 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.494 ' O ' HG13 ' A' ' 19' ' ' ILE . 50.1 t90 -61.87 -63.71 1.17 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.604 1.561 . . . . 74.42 110.022 -177.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 ttm-85 -58.48 -41.0 84.29 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.326 1.05 . . . . 73.12 110.761 -177.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.55 97.24 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 123.898 0.749 . . . . 63.42 111.758 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -62.11 -46.73 87.76 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.705 0.802 . . . . 74.35 111.184 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 15' ' ' TRP . 9.7 mt -72.67 -39.0 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 123.506 0.504 . . . . 74.31 111.045 -174.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.83 95.87 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.885 0.741 . . . . 72.32 109.842 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.45 73.23 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 124.117 0.886 . . . . 75.3 111.233 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -70.92 -50.17 37.76 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.238 1.015 . . . . 63.04 111.196 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -71.37 -34.5 70.5 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.055 -0.521 . . . . 72.55 110.436 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 -34.27 71.77 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 122.146 0.178 . . . . 74.33 110.757 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -57.25 -50.62 72.31 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.802 0.841 . . . . 62.42 110.894 172.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -64.93 -38.67 91.74 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-O 118.923 -0.56 . . . . 73.51 110.799 177.144 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.454 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -52.79 -52.14 57.91 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.187 0.595 . . . . 75.01 111.393 176.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -77.26 -27.45 53.21 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.466 0.479 . . . . 74.33 111.543 -177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -57.58 -64.88 0.75 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.221 0.608 . . . . 71.5 111.763 -175.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 HD23 HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -77.64 -8.09 57.38 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 112.382 0.512 . . . . 73.54 112.382 -176.484 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.71 -39.35 24.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.89 0.476 . . . . 74.31 110.653 173.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.1 p -107.64 -57.09 2.14 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.455 0.539 . . . . 72.31 112.455 -175.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -58.53 144.97 40.82 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.772 0.829 . . . . 64.25 113.074 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -78.6 -22.14 47.49 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 114.165 -1.38 . . . . 74.44 111.005 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -60.01 -30.35 69.09 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.65 1.18 . . . . 72.21 112.621 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -144.39 100.74 4.79 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 106.682 -1.599 . . . . 72.44 106.682 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.49 ' O ' ' HA3' ' A' ' 163' ' ' GLY . 74.0 Cg_endo -82.29 145.5 13.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 121.732 1.621 . . . . 75.21 112.297 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.46 HD11 HD23 ' A' ' 30' ' ' LEU . 32.8 mt -90.32 136.22 28.76 Favored Pre-proline 0 N--CA 1.48 1.029 0 N-CA-C 106.675 -1.602 . . . . 73.53 106.675 159.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.04 143.98 95.47 Favored 'Trans proline' 0 C--N 1.387 2.601 0 C-N-CA 122.733 2.289 . . . . 72.1 111.546 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -54.21 -36.37 85.72 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.175 2.583 . . . . 73.33 113.303 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.9 -50.14 63.38 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 123.764 0.665 . . . . 65.01 111.566 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.12 -23.79 62.16 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.51 0.724 . . . . 74.03 111.902 -177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -63.8 -26.77 68.78 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.271 0.628 . . . . 74.44 110.969 175.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.41 -37.81 95.26 Favored Glycine 0 C--N 1.354 1.535 0 N-CA-C 112.059 -0.416 . . . . 64.24 112.059 173.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.99 -10.85 59.66 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.366 0.876 . . . . 61.54 113.366 174.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -77.53 106.58 9.4 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 118.614 0.643 . . . . 74.12 110.062 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -109.97 -37.13 5.69 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 106.909 -1.515 . . . . 73.32 106.909 163.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.75 146.62 7.99 Favored Glycine 0 C--O 1.246 0.882 0 N-CA-C 108.795 -1.722 . . . . 71.53 108.795 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.22 118.39 5.43 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 123.041 0.536 . . . . 73.33 109.896 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -73.75 127.05 31.76 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.313 -0.995 . . . . 75.53 108.313 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.81 171.95 15.94 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 123.815 0.697 . . . . 71.52 112.6 -170.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -77.79 156.67 30.37 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 114.23 -1.35 . . . . 64.33 109.842 173.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -97.05 177.55 5.56 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.375 -0.829 . . . . 70.12 111.089 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.9 mm -85.33 112.86 22.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.432 -0.804 . . . . 72.52 110.476 -165.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -122.6 127.48 49.47 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.186 0.594 . . . . 75.32 111.237 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.55 -15.22 58.08 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.586 1.154 . . . . 75.21 113.742 -171.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -68.3 -20.49 64.76 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 118.231 0.469 . . . . 73.51 111.076 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -73.06 8.42 1.61 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.082 0.953 . . . . 74.35 113.453 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.453 ' HD3' ' HB3' ' A' ' 150' ' ' ASP . 11.8 tpp180 -78.74 94.06 5.05 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.462 0.705 . . . . 72.34 109.95 -176.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 m -102.03 143.24 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 108.917 -0.771 . . . . 72.12 108.917 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.47 130.48 40.83 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.873 -0.788 . . . . 71.41 108.873 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.69 135.62 55.07 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.89 0.476 . . . . 72.54 110.654 -174.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -74.91 120.4 20.39 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.55 0.74 . . . . 73.32 109.59 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -88.2 125.02 34.41 Favored 'General case' 0 C--O 1.247 0.927 0 C-N-CA 124.021 0.928 . . . . 70.11 109.864 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -131.56 104.9 14.45 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.861 0.864 . . . . 75.23 109.45 172.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -69.53 148.93 67.69 Favored 'Trans proline' 0 C--N 1.371 1.716 0 C-N-CA 121.946 1.764 . . . . 72.12 110.042 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.73 102.38 8.06 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.884 -0.784 . . . . 71.41 108.884 -176.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -59.23 -24.89 63.55 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.898 0.879 . . . . 73.44 110.507 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -123.67 84.03 53.7 Favored Pre-proline 0 CA--C 1.558 1.257 0 C-N-CA 124.901 1.28 . . . . 74.14 108.44 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -81.88 132.32 7.44 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.173 1.915 . . . . 71.04 111.761 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 86' ' ' THR . 12.7 pt-20 -140.4 157.37 45.64 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.056 0.542 . . . . 72.04 110.589 -177.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.85 113.02 21.06 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 123.848 0.717 . . . . 72.24 109.283 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 17.1 m -105.91 156.26 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.377 1.071 . . . . 74.53 108.536 178.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.611 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 43.6 mt-10 -109.87 107.79 17.86 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 123.518 0.727 . . . . 62.12 109.462 -171.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' A' ' 170' ' ' PRO . 1.2 mm? -101.76 134.44 44.92 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.47 -1.307 . . . . 74.51 107.47 177.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.25 149.55 49.35 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.013 -0.736 . . . . 74.53 109.013 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.3 p -119.15 168.41 10.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.797 0.439 . . . . 74.3 110.568 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.3 p -89.98 -23.94 21.38 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.057 -0.974 . . . . 73.45 109.87 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -32.92 72.29 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.022 0.929 . . . . 74.33 111.667 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.91 -123.86 1.28 Allowed Glycine 0 CA--C 1.523 0.569 0 CA-C-O 118.09 -1.395 . . . . 51.11 111.19 -174.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -64.6 147.84 90.24 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.95 2.434 . . . . 72.04 111.974 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -58.13 145.45 92.3 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 123.136 2.557 . . . . 74.41 113.217 -174.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.92 129.72 44.33 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 123.831 0.852 . . . . 63.34 109.658 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.611 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 45.9 mt-10 -93.03 121.22 34.14 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.024 0.53 . . . . 74.51 109.954 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.459 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 60.6 m-85 -123.69 141.79 51.69 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.249 -1.019 . . . . 74.14 108.249 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 71' ' ' GLU . 37.1 m -84.64 144.08 28.82 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.869 -0.419 . . . . 63.13 109.869 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.7 mtm105 -75.19 108.74 8.15 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.011 -0.737 . . . . 75.34 109.011 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 106' ' ' ARG . . . -87.49 -48.06 8.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.185 0.594 . . . . 75.34 111.51 178.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -152.54 173.68 14.86 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.303 0.641 . . . . 74.22 110.385 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.1 t -136.05 125.07 38.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.067 0 C-N-CA 124.761 1.224 . . . . 72.22 107.742 173.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.15 123.6 48.27 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.814 0.846 . . . . 74.52 110.79 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.87 121.12 5.74 Favored Glycine 0 N--CA 1.476 1.358 0 CA-C-O 119.596 -0.558 . . . . 73.23 112.263 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -152.87 -174.31 4.88 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 117.761 0.781 . . . . 75.25 110.479 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.516 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 7.9 p-10 -138.38 157.68 45.75 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.754 0.822 . . . . 72.12 110.217 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.4 tp -160.27 140.31 11.42 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.443 1.097 . . . . 74.12 108.804 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.83 -107.23 1.92 Allowed Glycine 0 C--N 1.351 1.4 0 N-CA-C 112.293 -0.323 . . . . 75.33 112.293 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.76 6.82 9.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.31 1.044 . . . . 64.24 110.152 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.3 m -132.87 131.33 40.84 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.561 0.578 . . . . 75.3 112.561 -171.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 6.4 p80 -88.2 137.54 32.24 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.673 -0.862 . . . . 73.42 108.673 170.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -141.54 151.01 42.86 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.463 0.649 . . . . 65.44 110.271 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.1 m -125.63 119.23 27.49 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.23 -1.35 . . . . 74.42 107.602 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 84.3 mt -107.72 150.83 26.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.486 0.714 . . . . 64.14 110.096 -175.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.6 m -93.23 126.69 38.47 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.929 -0.767 . . . . 73.51 108.929 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -95.83 125.13 40.19 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.32 1.048 . . . . 70.32 108.519 174.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.459 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 29.3 m-85 -98.96 155.51 17.38 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.917 0.389 . . . . 75.02 110.782 -177.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.473 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 78.8 ttt180 -92.87 115.68 28.34 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.332 -0.988 . . . . 74.02 108.332 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.17 108.72 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.6 -1.259 . . . . 75.52 107.6 169.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.91 138.93 57.7 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.955 -1.02 . . . . 71.25 110.763 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 87.97 -25.41 8.81 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 116.33 -0.395 . . . . 43.21 112.847 -174.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -106.16 127.3 53.11 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.619 1.168 . . . . 75.33 109.853 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.3 t -73.76 -18.79 60.93 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.179 0.992 . . . . 73.43 111.901 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 48.7 m -84.03 140.04 32.12 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.016 0.526 . . . . 72.43 109.692 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . 31.5 mt -82.06 145.63 30.09 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.356 1.063 . . . . 75.34 109.037 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.52 102.44 10.79 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.721 -0.844 . . . . 72.22 108.721 -171.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.7 t -105.14 104.18 45.79 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 123.575 0.75 . . . . 74.12 110.16 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -91.16 128.07 1.2 Allowed 'Trans proline' 0 C--N 1.368 1.596 0 C-N-CA 123.127 2.551 . . . . 75.32 112.272 174.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.627 ' HA ' ' HB2' ' A' ' 174' ' ' ASN . 21.4 p90 -146.7 172.71 13.2 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.655 0.782 . . . . 74.21 110.224 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 39.7 p -133.56 168.64 18.29 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 108.555 -0.906 . . . . 72.42 108.555 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -162.81 -165.06 1.07 Allowed 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.23 0.331 . . . . 74.2 111.777 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.25 -31.55 43.55 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.424 0.528 . . . . 73.23 112.424 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.3 m -70.72 -34.48 71.94 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.026 0.531 . . . . 74.03 110.627 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.687 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 20.9 p -68.58 -40.39 80.56 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 115.72 -0.673 . . . . 74.34 110.433 170.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.73 -32.3 70.42 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.971 0.908 . . . . 72.13 111.907 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -63.31 -21.35 66.2 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.8 0.84 . . . . 74.34 112.981 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 70.36 8.56 62.7 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 123.454 0.471 . . . . 74.52 113.921 -172.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.534 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 5.4 mmp_? -92.59 -4.86 52.73 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.989 0.515 . . . . 73.12 110.4 175.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.563 HG21 ' O ' ' A' ' 184' ' ' GLU . 28.7 p -129.33 155.93 44.84 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 106.27 -1.752 . . . . 65.42 106.27 156.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -63.4 115.07 4.28 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.009 0.433 . . . . 74.31 110.941 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.687 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 1.7 pp20? -70.24 -12.75 61.81 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.276 1.03 . . . . 74.41 113.283 -174.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.462 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 25.0 m80 -66.65 -20.65 66.03 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 123.355 0.409 . . . . 72.43 111.068 -172.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 157' ' ' PRO . . . 163.56 146.07 4.59 Favored Glycine 0 C--N 1.338 0.685 0 CA-C-N 115.799 -0.637 . . . . 62.21 111.667 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.452 ' HD2' ' HB2' ' A' ' 154' ' ' ALA . 10.1 tpp180 -112.48 141.87 45.71 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.179 -1.415 . . . . 72.34 107.179 168.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -111.1 170.54 8.04 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.81 0.732 . . . . 74.21 110.516 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.2 tt -149.84 122.77 8.76 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 106.431 -1.692 . . . . 72.13 106.431 167.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -96.78 103.66 15.6 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 107.906 -1.146 . . . . 60.52 107.906 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.0 t -99.77 124.57 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 115.057 -0.974 . . . . 74.15 110.38 -171.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -86.0 118.84 71.19 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 108.109 -1.071 . . . . 62.31 108.109 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.1 -32.04 75.31 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.779 2.319 . . . . 73.3 112.974 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 47.25 43.4 14.78 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.426 1.09 . . . . 72.31 113.27 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 66.26 33.61 85.58 Favored Glycine 0 C--N 1.347 1.142 0 N-CA-C 114.78 0.672 . . . . 73.11 114.78 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -83.3 158.11 22.35 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.954 0.502 . . . . 74.32 110.686 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -143.63 -175.45 4.57 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 108.272 -1.01 . . . . 65.01 108.272 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -66.34 117.67 9.9 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 117.932 0.333 . . . . 54.14 112.44 -173.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.31 3.57 58.68 Favored Glycine 0 N--CA 1.467 0.732 0 O-C-N 123.742 0.319 . . . . 44.4 112.73 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -87.26 -178.37 6.19 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.966 -1.124 . . . . 74.2 107.966 164.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 5' ' ' PRO . 13.9 pt-20 -137.14 163.5 30.69 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.796 0.331 . . . . 70.44 110.477 174.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 21.6 m -134.22 153.87 36.6 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 C-N-CA 124.171 0.988 . . . . 61.54 108.994 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -82.09 113.87 20.24 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 108.987 -0.746 . . . . 73.02 108.987 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.9 mt -112.99 86.4 2.37 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.365 -0.976 . . . . 75.52 108.365 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.453 ' HB3' ' HD3' ' A' ' 59' ' ' ARG . 8.3 p-10 -99.72 123.94 44.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.311 -0.996 . . . . 54.35 108.311 171.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.463 ' HB3' HG23 ' A' ' 180' ' ' ILE . 58.9 m-85 -69.6 -12.33 61.56 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 114.465 -1.243 . . . . 73.41 113.484 -168.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . 0.478 HD21 HD12 ' A' ' 19' ' ' ILE . 3.2 p-10 -68.33 -8.42 39.77 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 111.858 0.318 . . . . 74.23 111.858 170.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.436 HD11 HG22 ' A' ' 19' ' ' ILE . 2.8 mm? -92.58 -0.41 57.32 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.611 0.764 . . . . 64.54 112.284 167.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.452 ' HB2' ' HD2' ' A' ' 132' ' ' ARG . . . -52.28 127.68 22.85 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.535 0.522 . . . . 61.31 110.672 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -96.54 155.16 16.88 Favored 'General case' 0 C--O 1.255 1.343 0 CA-C-O 122.063 0.935 . . . . 74.3 109.698 -169.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.519 HD22 ' HB3' ' A' ' 160' ' ' ALA . 0.2 OUTLIER -96.85 121.95 58.04 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 113.356 -1.747 . . . . 73.12 108.887 -168.308 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . 0.449 ' HG3' ' O ' ' A' ' 131' ' ' GLY . 65.9 Cg_endo -68.24 144.99 64.67 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.652 2.235 . . . . 71.21 110.654 173.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.463 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 27.0 m-85 -73.77 -11.51 60.41 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.677 0.621 . . . . 72.43 112.677 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 165' ' ' PHE . 30.4 p -60.82 -28.46 68.81 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.303 0.641 . . . . 73.04 111.31 169.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.519 ' HB3' HD22 ' A' ' 156' ' ' ASN . . . -81.33 5.16 18.19 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.718 1.007 . . . . 73.3 113.718 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . 0.463 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 52.6 m-85 -114.81 -8.49 12.59 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.081 0.552 . . . . 71.32 110.14 178.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 91.49 -51.88 3.04 Favored Glycine 0 C--N 1.352 1.438 0 CA-C-O 119.65 -0.528 . . . . 74.24 113.969 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.49 ' HA3' ' O ' ' A' ' 37' ' ' PRO . . . -64.53 -97.73 0.02 OUTLIER Glycine 0 C--N 1.36 1.87 0 CA-C-O 119.202 -0.777 . . . . 62.14 114.305 -170.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.6 t -64.32 85.99 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.269 1.034 . . . . 71.15 109.469 166.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.539 ' HA ' ' HA ' ' A' ' 159' ' ' CYS . 26.8 p90 -84.12 76.53 10.07 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.749 0.785 . . . . 75.24 110.71 -171.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.8 p -119.27 117.24 28.06 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.283 0.633 . . . . 73.33 112.016 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 130' ' ' HIS . 28.1 p -147.4 147.24 30.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.198 0.999 . . . . 74.13 108.661 164.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -109.27 113.03 25.52 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.541 0.736 . . . . 54.15 109.83 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.2 mp -81.66 117.98 70.39 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 124.995 1.318 . . . . 72.12 109.861 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.444 ' HA ' HD11 ' A' ' 75' ' ' LEU . 1.1 Cg_endo -84.77 173.63 8.14 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 123.65 2.9 . . . . 63.45 112.316 176.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.15 156.7 28.46 Favored 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 122.465 2.11 . . . . 72.31 112.517 169.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -57.08 -12.98 2.44 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 115.743 1.757 . . . . 73.31 115.743 -168.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.71 -6.37 44.04 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 122.93 0.492 . . . . 71.34 111.434 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.627 ' HB2' ' HA ' ' A' ' 117' ' ' PHE . 23.8 p-10 -78.06 -10.14 59.47 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.517 0.727 . . . . 73.5 111.411 177.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -89.02 102.06 14.71 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 123.048 0.539 . . . . 73.14 109.962 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 53.7 t -79.95 118.55 73.0 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 107.804 -1.184 . . . . 72.21 107.804 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -75.88 62.11 6.48 Favored 'Trans proline' 0 C--N 1.371 1.712 0 C-N-CA 122.617 2.212 . . . . 73.41 112.02 175.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -151.42 155.99 39.74 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.723 1.209 . . . . 72.23 108.896 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -84.31 108.71 17.31 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.343 0.657 . . . . 72.32 110.016 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . 0.463 HG23 ' HB3' ' A' ' 151' ' ' PHE . 2.0 mp -97.25 89.31 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 104.859 -2.274 . . . . 71.44 104.859 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.52 65.85 7.84 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.237 -0.892 . . . . 73.4 110.019 -173.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -160.51 118.1 2.49 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.271 -1.332 . . . . 75.24 107.45 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 172.16 -158.01 28.25 Favored Glycine 0 N--CA 1.461 0.316 0 N-CA-C 108.604 -1.798 . . . . 54.21 108.604 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.563 ' O ' HG21 ' A' ' 127' ' ' THR . 3.3 mp0 -68.11 157.99 34.05 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.152 -1.055 . . . . 63.11 108.152 163.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -114.44 125.28 53.65 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 105.915 -1.883 . . . . 74.1 105.915 161.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 9.6 t -128.14 149.35 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 109.572 -0.529 . . . . 72.4 109.572 -160.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -89.13 153.0 21.31 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.874 0.869 . . . . 73.32 111.783 -174.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -58.29 -24.15 58.62 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.682 1.239 . . . . 74.13 112.448 161.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -58.56 -42.02 87.0 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.859 0.864 . . . . 65.15 111.86 174.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -90.02 -57.65 2.78 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.223 -0.658 . . . . 75.35 109.223 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . 0.457 ' HB2' HH21 ' A' ' 126' ' ' ARG . 17.8 mm-40 . . . . . 0 CA--C 1.554 1.11 0 C-N-CA 123.929 0.892 . . . . 75.4 110.44 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 109.979 -0.378 . . . . 74.32 109.979 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -148.47 -50.14 0.02 OUTLIER Pre-proline 0 CA--C 1.567 1.601 0 C-N-CA 123.391 0.676 . . . . 72.32 111.048 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -95.73 -177.48 0.41 Allowed 'Trans proline' 0 C--N 1.393 2.892 0 C-N-CA 122.627 2.218 . . . . 72.41 111.393 166.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.1 tt -82.15 140.78 46.07 Favored Pre-proline 0 CA--C 1.561 1.369 0 N-CA-C 107.204 -1.406 . . . . 73.24 107.204 167.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -61.11 124.77 15.5 Favored 'Trans proline' 0 C--N 1.378 2.097 0 CA-C-N 120.772 1.311 . . . . 74.33 112.003 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mt 172.78 -55.15 0.0 OUTLIER Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 125.607 1.563 . . . . 64.51 108.242 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -83.5 24.5 0.75 Allowed 'Trans proline' 0 C--N 1.406 3.568 0 C-N-CA 122.628 2.219 . . . . 71.54 112.238 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 m -63.89 -12.01 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.971 1.308 . . . . 74.15 112.181 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 t -88.17 33.66 0.74 Allowed 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 125.668 1.587 . . . . 74.12 110.479 170.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 26.4 -104.79 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 126.388 1.875 . . . . 75.22 114.066 -169.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -136.6 157.47 46.7 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 105.299 -2.111 . . . . 73.34 105.299 168.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 21.3 t70 -47.03 -42.15 17.81 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 113.135 0.791 . . . . 75.44 113.135 -173.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.79 -59.14 5.9 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.59 0.756 . . . . 74.13 111.588 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.31 97.33 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.028 -0.987 . . . . 74.24 111.512 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.485 ' O ' HG13 ' A' ' 19' ' ' ILE . 49.8 t90 -61.37 -44.49 97.07 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.946 1.298 . . . . 74.42 110.906 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 11.7 ttt85 -65.99 -44.32 85.19 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.516 1.126 . . . . 74.22 109.287 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.02 85.9 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 115.072 -0.967 . . . . 65.12 111.586 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -62.57 -47.66 82.87 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 123.005 0.522 . . . . 75.51 110.675 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.503 HG12 HD12 ' A' ' 153' ' ' LEU . 54.1 mt -60.95 -48.25 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.345 0.258 . . . . 73.42 110.407 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.47 -44.14 80.28 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 124.126 0.891 . . . . 73.42 110.888 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.9 -49.98 72.65 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.308 -0.86 . . . . 64.0 111.573 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -75.7 -30.34 59.28 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.831 0.852 . . . . 73.44 112.158 -175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -75.78 -42.79 49.2 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 108.627 -0.879 . . . . 71.21 108.627 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.01 -30.22 67.47 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.068 -0.969 . . . . 74.3 110.757 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.502 ' HA ' ' HG2' ' A' ' 28' ' ' GLU . 27.4 t70 -65.48 -41.32 93.43 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 123.381 0.426 . . . . 73.04 110.272 171.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -64.98 -37.64 88.33 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.717 0.407 . . . . 75.24 111.184 175.333 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.8 -42.23 86.3 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 122.831 0.452 . . . . 73.21 111.232 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.502 ' HG2' ' HA ' ' A' ' 25' ' ' ASP . 10.0 pt-20 -80.73 -24.4 38.78 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 119.113 -0.47 . . . . 73.12 112.06 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' HB3' HD12 ' A' ' 30' ' ' LEU . 56.0 t80 -49.85 -61.97 1.83 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.724 1.21 . . . . 73.34 111.344 -172.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.735 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.57 -4.48 31.0 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-N 115.093 -0.958 . . . . 73.25 112.244 -173.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.9 -43.16 9.11 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.576 0.75 . . . . 74.24 110.416 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.45 HG21 ' O ' ' A' ' 28' ' ' GLU . 14.7 t -121.4 33.19 5.61 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.821 0.82 . . . . 75.12 111.466 -172.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -142.02 115.22 8.84 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.975 -1.011 . . . . 74.45 109.982 174.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.01 -33.68 72.33 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.144 1.377 . . . . 75.45 112.375 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -72.81 -8.46 55.6 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.326 0.65 . . . . 75.22 112.449 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -156.49 77.25 4.31 Favored Pre-proline 0 N--CA 1.477 0.913 0 N-CA-C 107.075 -1.454 . . . . 74.31 107.075 173.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -92.89 151.43 2.7 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 122.93 2.42 . . . . 75.21 112.977 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.735 HG13 ' HB2' ' A' ' 30' ' ' LEU . 15.7 mt -76.33 127.27 85.13 Favored Pre-proline 0 CA--C 1.554 1.117 0 N-CA-C 107.017 -1.475 . . . . 75.13 107.017 164.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -46.01 140.77 10.0 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 124.282 3.321 . . . . 75.35 113.341 -175.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -47.84 -39.26 31.5 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 124.094 3.196 . . . . 75.45 114.834 -165.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.27 -47.57 79.06 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 121.287 0.565 . . . . 72.24 111.093 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.4 -25.35 59.42 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.032 0.933 . . . . 70.44 111.168 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -62.76 -35.41 79.73 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.528 1.131 . . . . 72.15 110.532 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.98 -39.19 63.84 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.129 -0.788 . . . . 53.31 111.129 172.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.67 10.32 11.54 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 124.246 1.018 . . . . 72.44 113.129 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -69.63 102.15 1.8 Allowed 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.253 0.549 . . . . 73.54 109.788 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -91.96 -25.64 18.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.187 0.995 . . . . 75.14 109.571 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.78 158.12 9.63 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 114.996 -1.002 . . . . 73.34 110.604 -176.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.97 148.56 31.14 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.652 -0.499 . . . . 75.53 109.652 176.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.451 ' HD3' ' H ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -68.96 136.1 52.0 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.666 -0.697 . . . . 73.44 109.176 174.374 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -107.9 118.6 37.18 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.367 0.667 . . . . 71.41 110.134 -172.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -83.78 134.1 34.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 107.999 -1.112 . . . . 74.24 107.999 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -74.04 155.04 38.96 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.513 0.325 . . . . 74.24 110.204 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.449 HD13 HG21 ' A' ' 19' ' ' ILE . 23.6 mm -75.45 132.66 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.467 0.707 . . . . 74.51 110.993 -169.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -136.64 110.46 8.16 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 122.97 0.508 . . . . 74.4 111.562 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.75 -5.21 56.82 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.275 1.03 . . . . 64.41 111.996 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 m -75.97 -28.8 58.03 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.027 0.441 . . . . 72.24 110.287 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.523 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 18.0 m-85 -75.77 12.05 1.18 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.041 0.936 . . . . 71.53 113.041 173.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -85.76 98.62 10.83 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 108.724 -0.843 . . . . 74.04 108.724 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.5 m -100.55 137.19 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 107.83 -1.174 . . . . 71.21 107.83 169.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.82 113.58 20.55 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 107.209 -1.404 . . . . 64.51 107.209 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.41 136.08 42.88 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.384 -0.599 . . . . 73.13 109.384 -173.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -73.3 110.32 7.5 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 107.966 -1.124 . . . . 73.41 107.966 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -79.5 119.34 22.36 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 115.074 -0.966 . . . . 71.43 110.284 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -113.47 144.05 30.56 Favored Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 107.196 -1.409 . . . . 72.24 107.196 164.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -94.54 167.06 1.81 Allowed 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 122.752 2.301 . . . . 71.41 112.076 169.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.5 125.57 28.23 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 110.067 -0.346 . . . . 72.41 110.067 167.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -57.3 -38.16 73.57 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.73 0.812 . . . . 75.43 111.348 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -150.51 96.92 3.35 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 107.165 -1.42 . . . . 72.11 107.165 172.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -47.75 130.28 18.71 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 123.603 2.869 . . . . 73.5 113.451 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.65 157.1 45.02 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.645 0.778 . . . . 75.21 111.18 -174.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.71 126.46 32.91 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.13 0.972 . . . . 75.04 110.937 -175.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 21.3 m -113.16 155.21 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.961 0.905 . . . . 74.5 108.858 172.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -101.78 111.32 23.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.276 0.63 . . . . 74.33 109.872 -176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.89 115.99 31.7 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 107.629 -1.249 . . . . 73.12 107.629 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.91 140.71 57.66 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.014 -0.735 . . . . 75.01 109.014 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.1 p -115.29 161.58 18.29 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.48 0.582 . . . . 71.42 110.978 -168.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.1 p -74.09 -25.15 59.65 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.209 -0.905 . . . . 74.11 110.0 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.405 ' HB2' ' HA ' ' A' ' 166' ' ' SER . 20.8 tpt180 -71.54 -31.77 67.4 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.728 1.211 . . . . 73.51 111.994 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.64 -120.9 1.34 Allowed Glycine 0 C--N 1.347 1.149 0 CA-C-O 118.812 -0.993 . . . . 54.21 111.476 -174.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -59.67 145.22 98.71 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 123.341 2.694 . . . . 74.43 112.252 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.86 151.87 38.63 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 123.186 2.591 . . . . 74.13 114.815 -174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.74 127.09 48.67 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.821 -1.081 . . . . 75.01 108.725 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 8.6 pt-20 -73.85 125.83 29.04 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.598 0.561 . . . . 75.24 110.184 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -128.21 133.23 48.83 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 107.406 -1.331 . . . . 73.41 107.406 169.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.489 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 51.6 m -78.84 148.51 32.81 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 108.628 -0.878 . . . . 71.0 108.628 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -85.06 113.99 21.88 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.697 -0.853 . . . . 73.31 108.697 172.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 106' ' ' ARG . . . -86.84 -47.35 9.12 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.543 0.687 . . . . 73.43 110.346 176.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . . . -151.82 168.86 23.75 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 114.776 -1.102 . . . . 73.22 110.217 -171.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.6 t -131.73 113.93 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 124.766 1.226 . . . . 74.41 107.914 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.38 122.76 38.43 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.168 0.587 . . . . 73.31 109.936 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.44 134.69 11.32 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 110.126 -1.189 . . . . 72.2 110.126 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -152.85 -175.72 5.44 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.116 0.958 . . . . 70.34 110.473 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.68 154.97 46.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.898 0.879 . . . . 74.13 109.531 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.73 125.85 3.77 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 106.118 -1.808 . . . . 73.02 106.118 -175.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.73 -125.21 27.91 Favored Glycine 0 C--N 1.353 1.484 0 N-CA-C 110.791 -0.924 . . . . 70.02 110.791 -169.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -109.24 21.12 17.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.3 0.64 . . . . 64.24 110.402 169.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.2 m -117.42 124.11 48.06 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.865 0.466 . . . . 65.1 111.111 -173.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -92.36 117.04 29.51 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.617 -1.253 . . . . 75.11 107.617 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -135.42 149.97 49.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.622 0.725 . . . . 74.24 110.922 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.5 m -129.61 125.14 35.44 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 114.159 -1.382 . . . . 73.33 110.064 -167.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.0 mt -108.72 138.12 45.56 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.538 -0.912 . . . . 75.02 108.538 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.0 m -88.6 130.21 35.32 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.897 -0.409 . . . . 74.32 109.897 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 113' ' ' LEU . . . -96.41 119.41 34.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.604 0.762 . . . . 71.31 109.576 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -95.28 149.88 20.85 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.119 0.568 . . . . 74.1 111.244 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.533 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 60.2 ttt180 -92.18 111.83 23.54 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 107.78 -1.193 . . . . 75.21 107.78 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.61 145.01 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.579 0.752 . . . . 65.33 111.068 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -81.94 136.34 35.31 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.513 -1.221 . . . . 74.2 109.417 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.12 -39.85 2.64 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 123.031 0.348 . . . . 51.11 113.194 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -91.6 121.71 33.51 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.006 0.922 . . . . 75.14 110.578 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.1 t -77.44 -11.84 59.89 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.924 1.289 . . . . 62.44 113.021 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.2 m -91.11 150.57 21.34 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.279 0.632 . . . . 73.13 109.888 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' A' ' 104' ' ' ALA . 66.3 mt -80.99 136.51 36.02 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.023 0.929 . . . . 74.25 109.29 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -96.11 98.22 10.17 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 107.853 -1.166 . . . . 73.33 107.853 -176.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.2 t -106.86 96.22 14.18 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 123.564 0.745 . . . . 71.22 108.995 -175.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.582 ' HB2' ' HB3' ' A' ' 170' ' ' PRO . 85.5 Cg_endo -82.27 146.75 14.17 Favored 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 122.225 1.95 . . . . 74.54 111.139 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.571 ' HA ' HD21 ' A' ' 174' ' ' ASN . 11.6 p90 -161.46 162.28 30.43 Favored 'General case' 0 C--O 1.252 1.188 0 CA-C-O 121.521 0.677 . . . . 72.05 111.107 -178.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 p -133.46 154.8 50.5 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.771 -1.559 . . . . 72.34 108.213 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.483 ' HB3' ' O ' ' A' ' 178' ' ' ALA . 1.8 m-20 -129.97 -169.98 2.23 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.867 0.867 . . . . 55.31 109.438 -174.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.04 -22.11 58.62 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 122.253 0.221 . . . . 73.33 111.502 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -36.95 76.38 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.418 0.687 . . . . 73.43 110.035 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -34.27 72.36 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.101 1.36 . . . . 65.52 112.894 -173.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.17 -34.32 56.39 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.648 1.179 . . . . 64.44 113.127 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.12 -18.37 65.25 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.438 0.695 . . . . 72.24 111.944 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 87.15 -26.3 7.02 Favored Glycine 0 C--N 1.353 1.497 0 N-CA-C 115.523 0.969 . . . . 73.23 115.523 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -65.45 -36.25 83.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.344 0.658 . . . . 73.45 112.492 -170.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.429 ' HB ' ' HD1' ' A' ' 128' ' ' TYR . 40.2 p -120.44 143.71 48.35 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.374 0.67 . . . . 75.24 111.031 -172.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.448 ' OH ' ' HB2' ' A' ' 119' ' ' ASP 0.266 10.3 p90 34.93 55.84 0.74 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 127.483 2.313 . . . . 72.5 113.991 174.543 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -43.41 -47.26 6.91 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.51 -2.132 . . . . 74.11 112.159 173.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -103.45 13.83 32.7 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.741 0.816 . . . . 74.21 111.727 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.15 171.1 26.1 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 111.257 -0.737 . . . . 64.5 111.257 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.679 HH11 ' HB3' ' A' ' 184' ' ' GLU . 38.8 ptt180 -135.61 146.12 47.58 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.75 -0.833 . . . . 73.3 108.75 175.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -92.8 172.34 8.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.112 0.565 . . . . 72.55 110.169 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.404 HD21 HG22 ' A' ' 136' ' ' VAL . 1.5 tt -144.19 121.2 11.39 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 105.554 -2.017 . . . . 74.52 105.554 168.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -90.13 98.24 11.65 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 107.551 -1.277 . . . . 75.43 107.551 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.404 HG22 HD21 ' A' ' 134' ' ' LEU . 60.9 t -99.5 128.86 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 115.345 -0.843 . . . . 74.31 109.768 -171.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -87.45 116.13 65.11 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 107.212 -1.403 . . . . 71.4 107.212 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.68 -21.81 58.35 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.383 2.055 . . . . 72.21 112.702 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.42 29.35 16.82 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.313 1.045 . . . . 65.22 113.122 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 53.32 47.32 62.28 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-N 116.112 -0.495 . . . . 72.13 114.066 -168.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -81.87 162.1 22.91 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.844 0.458 . . . . 72.22 110.229 173.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -126.41 173.76 9.12 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.888 0.875 . . . . 62.4 108.647 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.86 118.65 13.76 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-O 119.935 -0.37 . . . . 61.5 112.379 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 107.7 -14.28 38.43 Favored Glycine 0 C--N 1.336 0.55 0 CA-C-O 119.573 -0.57 . . . . 73.11 112.696 -177.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.88 -174.67 3.17 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 117.03 0.415 . . . . 72.01 110.114 175.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -140.49 157.72 45.07 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.926 0.49 . . . . 72.42 110.727 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 25.4 m -130.72 152.03 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.555 1.142 . . . . 72.4 109.013 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.03 106.03 11.75 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 109.648 -0.501 . . . . 73.4 109.648 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.73 86.51 4.41 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.305 -0.628 . . . . 72.41 109.305 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.85 106.41 7.41 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 107.533 -1.284 . . . . 72.25 107.533 164.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.523 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 30.1 m-85 -65.16 -18.89 65.68 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.488 0.315 . . . . 75.42 111.456 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -57.52 -33.96 68.61 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.886 0.874 . . . . 73.43 110.668 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.503 HD12 HG12 ' A' ' 19' ' ' ILE . 4.2 mm? -85.82 18.34 2.98 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.298 1.039 . . . . 74.23 111.986 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.5 130.05 44.59 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 120.833 0.349 . . . . 74.43 110.391 167.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -97.96 146.34 25.58 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.373 1.069 . . . . 73.45 108.603 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -102.64 136.18 19.37 Favored Pre-proline 0 N--CA 1.471 0.596 0 CA-C-O 119.036 -0.507 . . . . 70.22 110.016 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.2 141.87 96.9 Favored 'Trans proline' 0 C--N 1.379 2.167 0 C-N-CA 122.267 1.978 . . . . 74.52 109.745 172.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -63.37 -11.07 19.76 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 113.35 0.87 . . . . 75.24 113.35 -169.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 163' ' ' GLY . 11.4 p -66.89 -12.35 59.02 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.536 0.734 . . . . 71.22 112.685 174.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -86.38 -0.54 56.17 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.903 0.881 . . . . 74.35 112.09 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -110.33 -11.36 14.54 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.705 0.802 . . . . 74.55 110.891 -171.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 124.89 -22.7 6.36 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-N 116.246 -0.434 . . . . 65.5 112.027 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.491 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -80.18 151.76 33.63 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 123.625 0.25 . . . . 63.02 112.553 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 28.8 m -115.02 96.01 5.49 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.877 -0.786 . . . . 74.13 108.877 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.59 -173.67 2.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.16 0.584 . . . . 75.13 110.046 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.405 ' HA ' ' HB2' ' A' ' 79' ' ' ARG . 40.4 t -73.54 107.24 5.7 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.824 0.85 . . . . 63.32 110.465 174.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 33.5 m -100.71 114.45 28.21 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.122 -1.066 . . . . 71.33 108.122 177.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.37 102.11 5.01 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.45 0.7 . . . . 71.42 109.698 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 70.8 mt -65.05 116.69 32.25 Favored Pre-proline 0 CA--C 1.545 0.757 0 O-C-N 124.132 0.895 . . . . 74.24 110.024 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.623 ' HB2' HD22 ' A' ' 174' ' ' ASN . 62.3 Cg_endo -70.85 148.14 57.35 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.337 2.025 . . . . 74.31 112.069 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -64.92 163.22 29.09 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 122.255 1.97 . . . . 74.54 111.916 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -65.83 -16.32 63.71 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.055 0.542 . . . . 70.3 111.799 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.3 -19.42 64.58 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.977 1.311 . . . . 75.43 112.99 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.623 HD22 ' HB2' ' A' ' 170' ' ' PRO . 1.2 p-10 -108.7 37.16 2.6 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.469 0.652 . . . . 70.32 111.822 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -102.51 114.41 28.59 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.401 -0.592 . . . . 70.2 109.401 173.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 33.1 m -91.94 138.58 24.68 Favored Pre-proline 0 CA--C 1.557 1.241 0 N-CA-C 109.999 -0.371 . . . . 74.41 109.999 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -86.55 50.39 2.32 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 123.883 3.055 . . . . 74.11 112.348 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.483 ' O ' ' HB3' ' A' ' 119' ' ' ASP . . . -145.55 146.76 31.54 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.272 -1.01 . . . . 75.3 108.272 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.42 122.87 34.4 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.128 -0.693 . . . . 63.23 109.128 173.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.04 108.22 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.018 -1.104 . . . . 75.31 108.018 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 43.4 p -85.01 81.28 8.96 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.715 0.769 . . . . 73.32 110.774 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -120.58 -162.52 0.95 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.665 1.186 . . . . 64.04 109.801 -177.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -68.29 105.6 1.48 Allowed Glycine 0 C--N 1.362 1.987 0 N-CA-C 110.404 -1.079 . . . . 65.21 110.404 172.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.679 ' HB3' HH11 ' A' ' 132' ' ' ARG . 5.4 pt-20 -132.07 157.11 45.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.209 1.004 . . . . 73.21 111.542 -174.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -69.9 131.13 43.96 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 108.255 -1.017 . . . . 73.41 108.255 -174.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 2.7 p -166.67 132.55 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.188 0.595 . . . . 75.2 109.989 172.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . 0.429 ' HB3' HD22 ' A' ' 190' ' ' LEU . 64.4 m-20 -78.33 102.55 7.76 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 108.774 -0.825 . . . . 70.0 108.774 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -48.57 -38.38 20.44 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.017 1.327 . . . . 70.33 114.121 -178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -79.63 -33.42 41.43 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.307 0.643 . . . . 61.34 111.862 -176.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' A' ' 187' ' ' ASP . 4.1 mm? -81.47 -58.53 2.99 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.044 0.538 . . . . 74.32 110.861 -174.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 . . . . . 0 C--O 1.249 1.041 0 C-N-CA 123.383 0.673 . . . . 75.03 111.49 -176.203 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 tpp . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.663 -0.495 . . . . 75.32 109.663 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 t -161.9 113.39 1.19 Allowed Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.692 0.797 . . . . 75.23 109.093 -178.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -72.32 -176.88 2.39 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 122.613 2.209 . . . . 74.3 110.195 166.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.5 tt -61.06 126.17 85.36 Favored Pre-proline 0 CA--C 1.563 1.479 0 N-CA-C 107.31 -1.367 . . . . 75.32 107.31 172.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.71 127.44 15.45 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 121.55 1.5 . . . . 73.35 111.095 -166.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mt -171.66 -54.51 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.059 0.944 . . . . 74.3 110.053 -169.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -78.87 18.57 0.99 Allowed 'Trans proline' 0 C--N 1.397 3.118 0 C-N-CA 122.173 1.915 . . . . 71.41 112.662 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m -68.12 -26.08 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.663 1.185 . . . . 75.22 110.044 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 t -85.14 86.64 7.36 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 107.428 -1.323 . . . . 73.15 107.428 162.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.5 t0 -28.59 148.97 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 126.914 2.085 . . . . 72.13 115.485 -178.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -47.67 137.05 9.73 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.106 0.962 . . . . 75.34 110.478 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -39.54 -49.32 2.13 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 115.438 1.644 . . . . 73.53 115.438 -162.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.25 -43.55 90.99 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 121.281 0.562 . . . . 75.21 110.602 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.58 -27.95 62.5 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.366 -0.834 . . . . 72.51 111.437 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.55 ' O ' HG13 ' A' ' 19' ' ' ILE . 37.9 t90 -70.76 -37.09 73.37 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.326 -0.62 . . . . 75.2 109.326 173.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -71.34 -27.15 63.17 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.017 0.527 . . . . 75.01 110.35 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.38 84.64 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.91 0.484 . . . . 74.33 111.248 165.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -66.85 -28.4 68.32 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.148 0.579 . . . . 74.12 111.082 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.601 HG23 HD11 ' A' ' 153' ' ' LEU . 49.3 mt -72.4 -47.69 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.587 0.755 . . . . 71.13 109.906 176.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.41 76.19 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 124.558 1.162 . . . . 74.31 110.085 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.41 80.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.425 0.69 . . . . 71.03 111.221 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -53.27 53.33 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.822 0.849 . . . . 65.53 110.813 179.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -67.55 -38.62 84.42 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.593 0.357 . . . . 74.52 111.157 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.85 89.81 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.664 0.603 . . . . 63.13 110.887 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.7 -56.34 23.08 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.157 0.91 . . . . 65.13 110.63 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.808 ' HZ2' ' HB2' ' A' ' 184' ' ' GLU . 51.0 mtmt -57.21 -40.58 77.76 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.898 0.749 . . . . 75.22 111.374 -178.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.71 -55.14 25.58 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.98 0.912 . . . . 72.31 111.381 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.21 -24.35 61.38 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.972 -0.558 . . . . 75.21 110.963 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.64 ' HE1' ' HB2' ' A' ' 36' ' ' SER . 35.7 t80 -52.83 -65.09 0.62 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.353 1.061 . . . . 74.41 111.87 -173.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.468 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.07 -18.3 65.25 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 111.746 0.276 . . . . 62.4 111.746 -175.337 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.1 -36.57 18.04 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.256 0.622 . . . . 70.14 111.581 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 p -117.54 -59.38 1.94 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.983 0.513 . . . . 74.02 111.529 -173.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -61.29 106.55 0.64 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.839 0.856 . . . . 70.34 109.913 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.32 -11.6 60.31 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.458 1.103 . . . . 73.0 113.133 -164.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -62.08 -13.73 29.38 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 113.958 1.095 . . . . 70.31 113.958 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.64 ' HB2' ' HE1' ' A' ' 29' ' ' PHE . 66.1 m -159.74 81.41 2.45 Favored Pre-proline 0 N--CA 1.475 0.821 0 N-CA-C 107.085 -1.45 . . . . 74.45 107.085 172.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -77.2 148.16 26.91 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.503 2.136 . . . . 74.33 111.954 -176.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.7 tt -73.71 133.99 79.16 Favored Pre-proline 0 CA--C 1.553 1.082 0 N-CA-C 108.205 -1.035 . . . . 71.43 108.205 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -48.42 139.31 22.83 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 123.472 2.782 . . . . 75.54 112.327 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -51.4 -32.61 43.1 Favored 'Trans proline' 0 C--N 1.382 2.305 0 C-N-CA 124.05 3.167 . . . . 74.14 114.332 -170.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.57 -44.42 78.25 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.287 0.565 . . . . 75.14 111.034 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -81.95 -18.73 42.51 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.454 0.702 . . . . 72.13 110.539 -175.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -57.9 -46.9 84.22 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.683 0.793 . . . . 64.55 110.676 170.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.93 -41.97 70.54 Favored Glycine 0 C--N 1.344 1.019 0 N-CA-C 111.461 -0.656 . . . . 72.4 111.461 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.76 2.43 14.39 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.656 0.782 . . . . 73.34 112.817 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.8 99.65 0.49 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 121.36 0.6 . . . . 72.24 110.102 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -92.26 -29.19 16.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.49 1.116 . . . . 74.32 109.3 172.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.46 63.48 0.38 Allowed Glycine 0 C--N 1.343 0.948 0 N-CA-C 110.059 -1.217 . . . . 54.23 110.059 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 81.88 0.18 Allowed 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 122.408 1.099 . . . . 74.24 111.02 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -175.24 152.56 1.43 Allowed 'General case' 0 C--O 1.245 0.843 0 CA-C-N 113.761 -1.563 . . . . 75.44 109.453 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.1 t80 168.2 112.14 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.739 1.616 . . . . 73.24 108.41 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -126.3 129.57 49.13 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.917 -0.772 . . . . 75.42 108.917 160.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -71.31 169.7 14.67 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.384 -0.599 . . . . 75.14 109.384 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.404 HG22 ' CD1' ' A' ' 19' ' ' ILE . 10.6 mm -84.11 123.4 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-O 119.23 -0.414 . . . . 70.23 109.928 -174.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -134.63 118.85 17.64 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 109.552 -0.536 . . . . 74.53 109.552 173.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.16 -15.92 56.0 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.938 0.895 . . . . 64.12 113.256 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.0 t -81.98 -19.39 40.65 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 122.335 -0.228 . . . . 75.32 111.246 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -85.26 7.83 20.72 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.945 0.721 . . . . 72.24 112.945 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.488 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 37.2 ptt180 -104.09 99.59 9.33 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.68 -0.859 . . . . 74.53 108.68 169.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.4 m -100.31 155.09 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 122.048 -0.407 . . . . 65.55 110.12 -175.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.76 118.56 31.58 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.145 -1.058 . . . . 70.33 108.145 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.566 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . . . -105.69 135.1 47.72 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.09 0.556 . . . . 54.31 110.268 -175.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 145' ' ' ASP . 50.7 ttp180 -73.33 120.03 18.39 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.828 -0.805 . . . . 73.44 108.828 -176.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -88.46 121.73 31.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.974 0.909 . . . . 74.14 109.924 -172.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -118.58 105.89 45.24 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.789 0.835 . . . . 75.42 108.984 172.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -64.59 148.4 90.43 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 122.144 1.896 . . . . 72.43 110.871 176.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.23 110.12 2.1 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.036 -0.727 . . . . 74.44 109.036 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -52.6 -32.03 39.38 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.533 1.133 . . . . 71.04 112.012 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -149.48 97.32 3.54 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 106.979 -1.489 . . . . 63.42 106.979 166.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.74 128.49 24.63 Favored 'Trans proline' 0 C--N 1.373 1.817 0 C-N-CA 122.669 2.246 . . . . 72.43 111.934 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -130.26 156.94 43.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.369 1.068 . . . . 63.13 109.356 -177.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.46 141.36 28.6 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.12 0.568 . . . . 73.53 110.772 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 33.4 m -136.15 158.97 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.747 1.219 . . . . 65.15 109.327 -174.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -106.15 112.47 25.52 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.077 -0.712 . . . . 73.34 109.077 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -95.48 123.77 39.18 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 107.355 -1.35 . . . . 61.31 107.355 172.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.27 151.71 39.8 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.518 -0.549 . . . . 75.35 109.518 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.4 p -123.5 168.2 12.9 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 118.583 0.629 . . . . 74.11 110.971 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.3 p -86.94 -33.56 19.63 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.887 -1.051 . . . . 73.34 110.524 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -75.69 -31.79 59.85 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.654 0.782 . . . . 74.41 111.805 -173.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.44 -122.83 1.09 Allowed Glycine 0 CA--C 1.532 1.148 0 CA-C-O 118.659 -1.078 . . . . 72.41 112.683 -174.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -62.74 152.6 77.45 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 123.533 2.822 . . . . 71.32 112.795 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -67.14 145.7 73.91 Favored 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 122.712 2.275 . . . . 74.1 113.071 -176.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.25 117.31 29.53 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.25 1.02 . . . . 71.1 109.633 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 44.6 mt-10 -81.02 120.16 24.43 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.173 0.589 . . . . 73.41 110.858 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.561 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 41.1 m-85 -122.5 146.68 47.17 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.076 0.95 . . . . 75.2 108.869 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.1 m -89.19 137.53 32.23 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 108.903 -0.777 . . . . 61.04 108.903 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -73.01 112.03 8.66 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.856 -0.794 . . . . 75.44 108.856 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.606 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.58 -52.82 6.8 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.409 0.684 . . . . 75.45 110.639 177.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.48 177.12 11.72 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.33 -0.85 . . . . 74.04 110.743 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.3 t -135.43 118.8 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 N-CA-C 107.536 -1.283 . . . . 74.43 107.536 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.428 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 3.0 mm? -95.7 119.92 35.06 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.25 0.62 . . . . 74.42 111.158 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.14 125.86 7.06 Favored Glycine 0 C--N 1.342 0.915 0 N-CA-C 110.632 -0.987 . . . . 72.15 110.632 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.566 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 37.1 p90 -161.23 154.78 21.79 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 117.706 0.753 . . . . 75.22 110.847 -171.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -81.16 152.84 27.55 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.939 -0.393 . . . . 75.11 109.939 173.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.486 HD22 HG11 ' A' ' 176' ' ' VAL . 28.6 tp -169.68 134.39 1.38 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 108.48 -0.933 . . . . 75.45 108.48 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.63 -101.49 1.79 Allowed Glycine 0 C--N 1.35 1.338 0 N-CA-C 110.285 -1.126 . . . . 74.14 110.285 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -129.15 -2.85 5.07 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.357 0.663 . . . . 74.35 110.187 169.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.2 m -129.35 167.59 17.53 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.433 0.635 . . . . 63.15 112.676 -166.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -86.35 139.66 30.77 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.164 -1.05 . . . . 73.41 108.164 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.485 ' HD1' ' HB3' ' A' ' 95' ' ' LEU . 51.1 m80 -141.06 140.71 34.28 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.128 0.971 . . . . 73.15 109.375 -173.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.6 m -135.62 119.28 17.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.448 0.299 . . . . 74.41 110.708 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -103.89 142.85 33.69 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.524 1.13 . . . . 75.11 109.381 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.9 m -88.14 123.31 32.67 Favored 'General case' 0 C--O 1.243 0.717 0 N-CA-C 109.043 -0.725 . . . . 63.35 109.043 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.628 ' HA ' HG13 ' A' ' 115' ' ' VAL . . . -97.3 122.86 40.81 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.303 0.641 . . . . 74.22 109.45 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.561 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 51.0 m-85 -101.59 170.54 8.12 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.696 0.622 . . . . 62.44 110.338 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.606 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 36.7 ttt180 -126.03 131.16 52.24 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.576 -0.898 . . . . 73.01 108.576 -173.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 110' ' ' GLU . 1.8 m -111.8 115.25 49.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 107.748 -1.204 . . . . 73.54 107.748 173.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.24 136.54 56.74 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.033 -0.985 . . . . 74.45 111.213 -170.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 100.36 -34.38 5.59 Favored Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.221 -0.9 . . . . 75.31 111.726 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.44 ' HB2' HG23 ' A' ' 107' ' ' VAL . 10.3 mm-40 -87.79 136.49 32.93 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 123.348 0.659 . . . . 73.32 110.011 176.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.4 m -79.62 -18.1 52.31 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.819 -0.628 . . . . 72.02 110.678 170.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 m -90.57 135.13 33.9 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 123.339 0.655 . . . . 65.21 110.216 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.4 mt -81.68 149.63 28.42 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.808 0.843 . . . . 65.43 110.039 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.3 111.21 22.1 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.592 -0.892 . . . . 71.4 108.592 -177.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.628 HG13 ' HA ' ' A' ' 104' ' ' ALA . 20.0 m -107.68 116.56 57.33 Favored Pre-proline 0 N--CA 1.48 1.059 0 N-CA-C 108.877 -0.786 . . . . 73.05 108.877 175.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -84.22 148.33 11.7 Favored 'Trans proline' 0 C--N 1.368 1.585 0 C-N-CA 122.306 2.004 . . . . 72.31 109.66 163.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -164.7 163.44 21.54 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.142 0.496 . . . . 75.14 110.676 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.4 p -130.57 154.19 48.1 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.966 -1.015 . . . . 73.45 108.877 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -114.0 -172.25 2.05 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 108.08 -1.082 . . . . 72.53 108.08 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -73.33 -28.36 62.03 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.856 -0.794 . . . . 72.43 108.856 160.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.448 HG21 ' HB3' ' A' ' 126' ' ' ARG . 2.2 m -65.9 -38.32 88.4 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.441 1.496 . . . . 72.21 111.332 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 46.9 p -69.51 -45.32 69.16 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.202 0.601 . . . . 71.11 110.972 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.99 -19.42 62.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.7 0.8 . . . . 73.5 111.524 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -76.15 -18.65 59.02 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.851 0.86 . . . . 70.44 110.427 171.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.59 -0.03 86.54 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 115.812 -0.631 . . . . 62.31 113.608 -175.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.448 ' HB3' HG21 ' A' ' 121' ' ' THR . 14.3 tpp180 -72.34 -39.67 67.98 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.792 0.837 . . . . 72.24 109.849 -176.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.8 p -118.44 -177.57 3.32 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.007 -0.997 . . . . 71.14 109.712 171.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -62.61 99.74 0.16 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.402 1.081 . . . . 74.11 111.729 -166.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.74 -52.07 66.42 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.293 1.037 . . . . 72.52 112.365 -173.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -77.42 6.97 5.97 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 116.078 -0.51 . . . . 75.53 112.195 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 134.07 143.36 4.88 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 112.067 -0.413 . . . . 61.04 112.067 167.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 -126.59 140.94 52.05 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.402 -1.333 . . . . 74.15 107.402 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.28 172.51 6.75 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.082 0.467 . . . . 63.55 111.601 -175.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.402 HD12 HD23 ' A' ' 149' ' ' LEU . 1.7 tt -153.17 138.47 17.51 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 106.764 -1.569 . . . . 71.31 106.764 170.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.5 110.95 23.37 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.457 -0.942 . . . . 73.35 108.457 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.7 122.82 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-N 115.154 -0.93 . . . . 72.44 108.872 -171.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -87.6 122.35 70.54 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 108.525 -0.917 . . . . 65.02 108.525 178.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.82 -28.28 86.86 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 122.625 2.217 . . . . 65.12 113.095 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 53.16 30.41 9.74 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 114.444 1.275 . . . . 75.31 114.444 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 58.98 27.8 62.76 Favored Glycine 0 N--CA 1.477 1.412 0 N-CA-C 114.117 0.407 . . . . 64.15 114.117 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.12 161.53 28.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.597 0.759 . . . . 65.22 110.928 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -140.13 179.68 6.49 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.758 -0.656 . . . . 63.1 109.357 -174.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -58.42 104.71 0.52 Allowed Glycine 0 C--N 1.353 1.514 0 C-N-CA 123.602 0.62 . . . . 71.04 113.352 -174.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.2 0.85 33.45 Favored Glycine 0 N--CA 1.467 0.751 0 CA-C-O 119.344 -0.698 . . . . 73.0 114.009 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 63' ' ' ARG . 21.7 m-20 -82.86 -169.16 2.36 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 117.665 0.733 . . . . 64.42 109.597 174.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -138.97 155.35 48.08 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 120.91 0.386 . . . . 74.31 111.577 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 21.9 m -137.17 177.09 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 124.463 1.105 . . . . 73.42 109.653 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.59 130.3 34.61 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.076 0.55 . . . . 71.44 111.684 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.402 HD23 HD12 ' A' ' 134' ' ' LEU . 15.0 mt -126.22 86.25 2.5 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.414 1.086 . . . . 74.31 108.422 166.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 25.4 p-10 -91.73 97.76 11.21 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.114 -0.948 . . . . 74.34 109.674 176.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -73.03 -26.31 61.26 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.098 -0.956 . . . . 64.32 111.634 -172.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -68.48 -17.6 64.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.001 0.521 . . . . 71.02 111.327 174.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.601 HD11 HG23 ' A' ' 19' ' ' ILE . 2.2 mm? -110.56 18.28 19.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.443 0.697 . . . . 73.35 111.722 174.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.1 149.72 27.11 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.525 0.679 . . . . 72.34 111.2 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -97.68 177.03 5.62 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.727 -1.124 . . . . 72.35 108.046 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -152.81 159.0 32.96 Favored Pre-proline 0 N--CA 1.471 0.582 0 O-C-N 121.911 -0.493 . . . . 71.44 110.968 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -80.79 124.46 5.09 Favored 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 121.315 1.343 . . . . 71.15 109.377 163.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.409 ' CD2' HD11 ' A' ' 30' ' ' LEU . 80.3 m-85 -81.62 0.35 38.85 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.349 0.659 . . . . 72.25 111.651 -176.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . 0.458 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 42.1 t -56.23 -30.44 62.36 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.351 -0.841 . . . . 72.04 110.813 159.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.65 -27.23 66.69 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.866 0.867 . . . . 65.12 111.712 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -81.19 11.17 4.44 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.716 0.807 . . . . 73.14 111.68 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 104.24 6.72 41.68 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-O 119.395 -0.669 . . . . 72.22 114.423 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -81.0 159.25 41.46 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 117.612 0.706 . . . . 70.14 112.206 174.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 32.1 p -105.66 69.89 0.85 Allowed 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.276 0.56 . . . . 74.42 110.791 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -129.45 158.31 39.54 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.593 0.757 . . . . 75.02 111.289 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 42.9 p -74.7 115.55 14.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.237 -0.892 . . . . 71.21 112.098 -169.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 159' ' ' CYS . 33.8 m -100.63 113.81 26.98 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 107.616 -1.253 . . . . 52.42 107.616 174.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -72.68 100.25 2.77 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.944 -0.762 . . . . 63.41 108.944 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.59 121.31 47.85 Favored Pre-proline 0 CA--C 1.547 0.839 0 O-C-N 124.687 1.242 . . . . 75.31 110.274 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.09 138.31 43.35 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 122.312 2.008 . . . . 72.32 111.747 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.66 179.73 5.68 Favored 'Trans proline' 0 C--N 1.37 1.699 0 C-N-CA 122.566 2.177 . . . . 61.34 112.648 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -56.65 -27.93 59.56 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.236 1.014 . . . . 74.24 113.324 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -71.35 -26.22 62.72 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.776 0.322 . . . . 74.41 111.192 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -98.98 1.01 45.11 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.409 0.683 . . . . 74.54 110.54 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -85.84 116.75 24.28 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 108.824 -0.806 . . . . 62.41 108.824 170.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.486 HG11 HD22 ' A' ' 95' ' ' LEU . 89.4 t -94.69 115.68 65.57 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 124.515 1.126 . . . . 73.44 108.916 173.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -73.57 66.27 4.66 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.785 2.323 . . . . 72.5 111.472 166.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.13 139.56 19.53 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 124.793 1.237 . . . . 70.11 107.883 174.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.15 103.93 12.11 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.139 -0.689 . . . . 62.13 109.139 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.9 mp -93.81 98.23 7.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 106.34 -1.726 . . . . 74.52 106.34 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 36.6 p -84.77 59.77 5.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 122.569 1.176 . . . . 73.34 109.271 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -162.31 120.72 2.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 113.284 -1.78 . . . . 61.42 106.527 -177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 173.41 -151.1 12.88 Favored Glycine 0 CA--C 1.498 -1.004 0 N-CA-C 109.877 -1.289 . . . . 72.13 109.877 -171.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.808 ' HB2' ' HZ2' ' A' ' 26' ' ' LYS . 7.4 tp10 -113.45 140.33 48.18 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 107.412 -1.329 . . . . 74.23 107.412 151.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -83.88 153.99 23.69 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 109.883 -0.414 . . . . 73.44 109.883 -171.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 24.9 t -123.95 137.67 56.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 108.323 -0.991 . . . . 75.2 108.323 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.23 147.81 25.93 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.485 0.714 . . . . 74.4 110.175 -172.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -57.39 -19.87 25.96 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 124.231 0.957 . . . . 71.23 111.957 164.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.5 -34.0 74.74 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.519 1.128 . . . . 74.31 111.275 173.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.76 -49.94 5.61 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.417 0.687 . . . . 74.23 109.477 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 . . . . . 0 C--O 1.251 1.143 0 C-N-CA 123.682 0.793 . . . . 75.51 111.081 -177.588 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.47 ' N ' ' SD ' ' A' ' 1' ' ' MET . 2.6 mpp? . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 107.79 -1.189 . . . . 73.43 107.79 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -157.0 -43.4 0.0 OUTLIER Pre-proline 0 CA--C 1.556 1.206 0 C-N-CA 125.629 1.572 . . . . 71.31 108.324 176.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.27 159.25 23.15 Favored 'Trans proline' 0 C--N 1.4 3.254 0 C-N-CA 121.4 1.4 . . . . 64.21 111.104 160.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.501 HG23 ' HG ' ' A' ' 6' ' ' LEU . 13.4 mt -73.75 128.68 86.44 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 123.259 0.624 . . . . 72.1 109.901 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -65.76 128.24 19.52 Favored 'Trans proline' 0 C--N 1.371 1.713 0 C-N-CA 122.784 2.323 . . . . 72.44 110.787 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.501 ' HG ' HG23 ' A' ' 4' ' ' ILE . 24.9 mt -159.52 -53.72 0.01 OUTLIER Pre-proline 0 N--CA 1.483 1.192 0 C-N-CA 125.054 1.342 . . . . 75.13 109.935 -166.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -80.08 19.57 1.02 Allowed 'Trans proline' 0 C--N 1.396 3.055 0 C-N-CA 122.221 1.948 . . . . 71.34 112.459 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.33 -28.52 39.68 Favored 'Isoleucine or valine' 0 C--N 1.363 1.159 0 C-N-CA 123.981 0.912 . . . . 74.21 109.455 169.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -91.09 98.57 11.84 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 124.892 1.277 . . . . 61.13 109.067 168.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.55 156.87 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.582 1.153 . . . . 75.53 113.781 167.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.0 t -50.59 141.46 12.5 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 114.768 -1.105 . . . . 72.24 110.286 172.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -47.28 -36.63 9.42 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 114.493 1.294 . . . . 73.02 114.493 -165.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.89 -53.9 49.48 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.668 0.787 . . . . 64.04 111.395 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.39 -34.12 72.18 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.252 1.021 . . . . 72.21 111.138 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.43 ' O ' HG13 ' A' ' 19' ' ' ILE . 60.2 t90 -65.99 -45.25 82.31 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.78 1.232 . . . . 72.24 109.455 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.535 ' HA ' HD11 ' A' ' 19' ' ' ILE . 23.5 ttm180 -63.76 -39.83 95.23 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.404 1.081 . . . . 72.51 110.565 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.69 88.47 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.511 0.724 . . . . 72.12 111.431 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -63.18 -45.57 91.2 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 122.796 0.439 . . . . 74.33 110.22 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.535 HD11 ' HA ' ' A' ' 16' ' ' ARG . 82.9 mt -57.03 -47.26 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 O-C-N 123.88 0.737 . . . . 71.12 110.594 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.45 -44.26 84.6 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 124.575 1.172 . . . . 75.11 110.555 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.6 76.13 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.55 -0.75 . . . . 73.15 111.499 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -67.19 -46.61 73.42 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.03 0.932 . . . . 73.13 111.039 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 28.3 ptt180 -74.14 -32.26 63.07 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.029 -0.532 . . . . 74.15 110.698 -177.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.85 -40.88 79.11 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.932 0.493 . . . . 55.54 110.804 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.6 -55.85 29.78 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.912 -1.04 . . . . 71.45 110.372 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.618 ' HE2' ' HB3' ' A' ' 155' ' ' TYR . 47.6 mttp -68.34 -23.7 64.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.728 -0.669 . . . . 74.02 111.742 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.479 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -63.52 -54.76 31.24 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.405 0.621 . . . . 73.2 109.484 173.497 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -83.35 -13.25 55.43 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.22 -0.9 . . . . 64.44 111.412 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -55.34 -60.05 3.95 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.727 0.811 . . . . 75.2 111.668 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.693 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -75.0 -24.81 58.48 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.612 -0.267 . . . . 74.41 110.982 -178.496 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.74 -44.77 55.31 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.752 0.421 . . . . 64.04 111.562 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.4 p -119.06 -56.87 2.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.334 0.653 . . . . 72.23 111.455 -170.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -56.29 133.59 52.77 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.253 0.621 . . . . 64.31 112.462 -175.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.25 -15.61 61.92 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.595 1.158 . . . . 70.55 113.118 -168.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -61.54 -37.05 82.36 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.05 0.54 . . . . 73.52 112.278 -172.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -155.65 78.35 4.52 Favored Pre-proline 0 N--CA 1.48 1.064 0 C-N-CA 123.667 0.787 . . . . 63.53 109.057 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.63 128.21 14.92 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 122.376 2.051 . . . . 75.41 111.618 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.693 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 18.5 tt -69.82 136.01 87.72 Favored Pre-proline 0 CA--C 1.552 1.044 0 N-CA-C 108.384 -0.969 . . . . 70.45 108.384 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -35.62 134.44 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 124.405 3.403 . . . . 74.34 115.174 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -54.69 -25.1 40.4 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 124.14 3.227 . . . . 74.31 114.546 -171.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.38 76.91 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.05 0.54 . . . . 73.34 110.839 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -76.32 -37.44 57.38 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.726 0.81 . . . . 74.54 110.147 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -67.33 -35.14 78.79 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.981 0.912 . . . . 71.33 111.395 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.95 -44.13 47.27 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.727 -0.549 . . . . 61.2 111.727 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.82 21.2 3.15 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.973 0.909 . . . . 74.31 112.435 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.98 108.63 2.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.823 0.849 . . . . 70.41 111.687 -175.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -94.84 -38.51 10.71 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.991 0.916 . . . . 73.53 109.799 170.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.92 168.97 11.85 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.103 -0.953 . . . . 73.23 111.602 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' A' ' 27' ' ' ASP . 1.2 pt? -135.99 80.5 1.83 Allowed 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 122.202 1.001 . . . . 73.05 109.406 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.51 123.8 2.22 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.933 -1.031 . . . . 73.41 109.27 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -131.24 -158.08 0.87 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.25 1.02 . . . . 64.31 108.545 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -55.53 111.98 1.02 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 109.123 -0.695 . . . . 75.54 109.123 176.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 152' ' ' ASN . 21.8 p-10 -122.56 -51.78 1.94 Allowed 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.056 -1.028 . . . . 73.54 110.564 -171.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.43 HG12 HD13 ' A' ' 19' ' ' ILE . 3.9 mt -80.76 105.81 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 121.467 0.651 . . . . 75.22 110.776 -175.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -136.28 114.19 11.27 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.202 -1.363 . . . . 70.22 109.544 166.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.95 -10.55 58.98 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.448 0.907 . . . . 71.23 113.448 -171.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 m -75.03 -27.92 60.26 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 110.017 -0.364 . . . . 63.13 110.017 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.49 ' HB2' ' HB3' ' A' ' 152' ' ' ASN . 67.0 m-85 -90.61 13.17 16.68 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 113.091 0.774 . . . . 75.34 113.091 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -112.43 115.86 29.36 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.521 -0.918 . . . . 74.13 108.521 173.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.9 m -115.49 171.07 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.372 0.669 . . . . 75.43 110.369 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.27 125.66 53.35 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.093 -1.077 . . . . 71.13 108.093 170.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -110.5 146.32 36.18 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.731 0.813 . . . . 72.35 110.248 -175.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -80.11 120.42 24.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.199 -0.667 . . . . 73.4 109.199 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -82.11 122.26 27.63 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.899 0.88 . . . . 74.3 109.811 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -124.07 100.44 36.46 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 124.288 1.035 . . . . 75.3 108.46 173.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -69.66 148.0 64.73 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.172 1.915 . . . . 74.5 111.278 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.9 99.82 3.92 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.901 -1.148 . . . . 73.22 107.901 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -60.61 -23.35 64.65 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.108 0.963 . . . . 75.35 109.627 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -123.65 90.85 50.27 Favored Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 108.533 -0.914 . . . . 75.41 108.533 167.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.45 131.86 19.63 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 122.058 1.838 . . . . 72.23 111.443 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -133.61 147.2 51.47 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.03 0.532 . . . . 74.44 111.112 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.17 126.52 31.59 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.151 0.98 . . . . 71.04 110.077 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.6 m -122.22 154.37 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.814 1.246 . . . . 75.41 108.963 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.425 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 37.5 mt-10 -111.4 112.67 24.58 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.192 0.997 . . . . 74.43 108.933 -178.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 168' ' ' ALA . 1.3 mm? -99.36 141.02 32.67 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.522 -0.918 . . . . 74.2 108.522 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.81 149.89 48.53 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.079 0.552 . . . . 74.1 110.626 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.0 p -138.7 162.44 34.68 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.558 0.343 . . . . 73.33 110.304 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.2 p -95.62 -34.42 12.0 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.424 0.69 . . . . 75.43 110.912 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.74 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 4.1 tmt_? -75.24 -31.45 60.82 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.767 0.427 . . . . 74.53 111.922 -175.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.93 -138.89 2.7 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 120.338 -0.934 . . . . 71.13 114.379 -175.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -62.93 158.07 45.12 Favored 'Trans proline' 0 C--N 1.381 2.248 0 C-N-CA 123.559 2.839 . . . . 73.4 112.952 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.418 ' HB2' ' HB3' ' A' ' 74' ' ' GLU . 23.3 Cg_endo -59.08 137.88 82.06 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.381 2.054 . . . . 74.51 111.634 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 124.75 36.5 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 123.886 0.874 . . . . 75.11 109.695 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.425 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 40.2 mt-10 -84.53 123.84 30.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.929 0.891 . . . . 53.44 110.246 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -139.5 147.61 41.52 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.272 1.029 . . . . 74.55 108.43 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.7 m -99.03 140.42 33.2 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.63 -0.508 . . . . 72.05 109.63 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.9 mtm105 -75.18 108.73 8.13 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.467 -0.938 . . . . 73.32 108.467 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 106' ' ' ARG . . . -88.88 -41.27 12.55 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.527 0.731 . . . . 75.24 110.345 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' A' ' 104' ' ' ALA . . . -157.59 174.78 14.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.61 -0.723 . . . . 74.24 110.809 -176.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.4 t -138.83 125.09 24.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 C-N-CA 125.485 1.514 . . . . 73.01 107.483 171.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -96.04 123.56 39.69 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.513 1.125 . . . . 73.34 109.948 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -107.73 117.07 5.07 Favored Glycine 0 C--N 1.341 0.806 0 N-CA-C 109.994 -1.242 . . . . 72.31 109.994 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.53 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 38.5 p90 -147.05 149.56 33.33 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.205 0.602 . . . . 75.24 110.517 -171.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.438 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 3.4 m-20 -81.93 138.03 35.06 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.211 0.604 . . . . 55.44 109.696 173.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.519 HD22 HD11 ' A' ' 180' ' ' ILE . 29.2 tp -158.11 124.7 4.82 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 108.708 -0.849 . . . . 74.44 108.708 178.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.9 -102.2 1.2 Allowed Glycine 0 C--N 1.351 1.412 0 N-CA-C 111.064 -0.814 . . . . 71.24 111.064 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -113.56 -14.31 12.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.335 1.054 . . . . 74.43 111.246 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.511 ' HB2' ' HG3' ' A' ' 177' ' ' PRO . 44.2 m -129.55 135.36 48.49 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.358 0.599 . . . . 73.32 112.439 -162.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 9.0 p80 -83.79 111.69 19.42 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 107.54 -1.281 . . . . 72.41 107.54 167.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -125.9 162.43 25.2 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 124.682 1.193 . . . . 71.32 108.323 -167.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.4 p -105.59 160.02 15.5 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.907 0.483 . . . . 71.32 110.698 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.53 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 14.5 tp -147.04 119.18 8.25 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.96 -0.564 . . . . 73.33 109.561 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.474 ' H ' ' ND2' ' A' ' 174' ' ' ASN . 8.6 m -81.62 123.84 29.03 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 110.026 -0.361 . . . . 73.1 110.026 -172.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.446 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . . . -94.39 118.44 31.63 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.199 -1.037 . . . . 65.34 108.199 176.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -92.36 158.81 15.88 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.612 0.72 . . . . 74.33 111.774 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.44 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 31.3 ttt-85 -97.64 120.45 38.04 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.408 -1.269 . . . . 74.44 109.379 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.446 HG22 ' HB2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -114.75 114.62 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.233 1.013 . . . . 73.31 109.475 171.266 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.98 142.79 50.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.263 -0.881 . . . . 74.42 110.904 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.78 -37.66 3.34 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 115.643 -0.708 . . . . 62.05 111.682 -169.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.446 ' HB2' HG22 ' A' ' 107' ' ' VAL . 1.3 mp0 -87.73 126.3 34.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.342 1.057 . . . . 73.43 109.655 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.6 t -75.01 -13.57 60.52 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.202 0.601 . . . . 74.33 110.873 171.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.4 m -88.98 144.47 26.15 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.456 0.702 . . . . 71.23 110.028 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 74.8 mt -82.85 136.38 34.64 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.635 -0.876 . . . . 63.5 108.635 170.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.26 99.98 11.64 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.42 -1.326 . . . . 72.1 107.42 -176.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.8 t -111.17 103.62 55.14 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 123.462 0.705 . . . . 72.45 109.875 -169.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.512 ' HB2' ' HG3' ' A' ' 170' ' ' PRO . 60.7 Cg_endo -84.2 144.8 10.7 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.869 2.379 . . . . 70.13 112.344 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.503 ' HB3' HD11 ' A' ' 102' ' ' LEU . 47.8 p90 -149.84 153.9 37.52 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.633 0.73 . . . . 72.51 112.481 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 p -127.16 148.2 50.18 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 113.607 -1.633 . . . . 74.32 108.459 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.475 ' HB3' HD12 ' A' ' 180' ' ' ILE . 1.0 OUTLIER -123.7 -172.74 2.59 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.583 1.153 . . . . 72.11 110.568 -174.061 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.16 -27.06 42.68 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.02 0.528 . . . . 75.4 111.449 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.467 HG23 ' HB ' ' A' ' 181' ' ' THR . 0.0 OUTLIER -71.88 -13.25 61.61 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.197 0.599 . . . . 71.44 111.751 -178.082 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.471 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 62.8 p -60.3 -40.01 88.98 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.572 0.749 . . . . 75.14 111.403 171.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.8 -29.48 70.75 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.434 1.094 . . . . 73.13 111.773 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -76.37 -24.22 54.15 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.601 0.76 . . . . 63.31 110.258 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.664 ' HA3' ' HB3' ' A' ' 188' ' ' ALA . . . 75.55 -5.11 39.13 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-N 115.749 -0.66 . . . . 72.54 114.1 -176.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -77.55 -15.64 59.13 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.17 0.588 . . . . 73.54 111.122 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.454 HG21 ' H ' ' A' ' 128' ' ' TYR . 1.2 m -125.39 -176.8 3.69 Favored 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 107.664 -1.236 . . . . 65.43 107.664 173.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.454 ' H ' HG21 ' A' ' 127' ' ' THR . 14.9 m-85 -74.04 89.56 1.95 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.944 0.898 . . . . 73.13 112.582 -160.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.471 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 12.6 pt-20 -70.73 -22.16 62.46 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.733 0.413 . . . . 73.35 111.499 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -77.15 -18.81 57.58 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.142 0.577 . . . . 74.31 110.262 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 109.58 176.37 21.21 Favored Glycine 0 C--N 1.345 1.042 0 CA-C-N 115.528 -0.76 . . . . 72.32 112.683 173.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 0.6 OUTLIER -124.61 163.07 22.75 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.665 1.186 . . . . 74.14 109.667 177.504 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.443 ' OH ' ' HB3' ' A' ' 168' ' ' ALA . 6.0 m-85 -118.92 166.51 12.75 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.631 -1.168 . . . . 75.42 108.757 164.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.53 134.51 22.59 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 107.853 -1.165 . . . . 70.22 107.853 174.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -96.78 100.79 12.32 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 108.09 -1.078 . . . . 75.32 108.09 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.01 119.9 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 115.624 -0.716 . . . . 75.54 109.083 -174.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -97.49 119.99 61.67 Favored Pre-proline 0 N--CA 1.472 0.647 0 N-CA-C 108.062 -1.088 . . . . 71.41 108.062 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -67.89 -24.93 39.39 Favored 'Trans proline' 0 C--N 1.37 1.658 0 C-N-CA 122.674 2.249 . . . . 74.43 113.008 -177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.53 -80.53 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.647 1.179 . . . . 74.11 110.439 -167.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -155.55 44.57 0.54 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.65 -0.98 . . . . 70.22 110.65 171.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -79.75 142.2 35.62 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.25 0.62 . . . . 51.53 109.756 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -131.54 -179.89 5.64 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 108.008 -1.108 . . . . 72.22 108.008 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -47.35 99.46 0.02 OUTLIER Glycine 0 C--N 1.355 1.611 0 C-N-CA 124.267 0.937 . . . . 72.13 114.613 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.69 -1.16 27.54 Favored Glycine 0 N--CA 1.47 0.928 0 CA-C-O 119.292 -0.727 . . . . 71.31 114.848 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -81.63 -172.28 3.77 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 118.015 0.907 . . . . 74.02 108.906 173.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.38 155.45 48.51 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.301 0.572 . . . . 63.05 112.378 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 13.4 m -141.19 152.77 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.317 1.447 . . . . 75.45 108.726 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.37 116.5 15.11 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.936 0.495 . . . . 73.53 111.83 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.7 mt -99.76 93.81 6.01 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.646 0.778 . . . . 73.05 109.964 170.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.421 ' HB3' HD21 ' A' ' 153' ' ' LEU . 30.9 m-20 -93.08 96.35 10.0 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.749 -0.659 . . . . 73.41 109.39 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.449 ' HB3' HG21 ' A' ' 180' ' ' ILE . 12.8 m-85 -72.61 -32.59 66.06 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.229 0.538 . . . . 74.11 111.321 -174.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' A' ' 58' ' ' PHE . 6.2 p-10 -74.54 -13.1 60.63 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.256 -0.884 . . . . 74.41 111.699 -175.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 150' ' ' ASP . 1.3 mm? -109.25 20.52 18.21 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.586 0.754 . . . . 75.12 110.697 172.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.15 140.52 52.69 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.821 0.701 . . . . 72.4 110.975 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.618 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 98.3 m-85 -97.7 157.4 16.07 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 115.018 -0.992 . . . . 74.43 110.369 -168.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.41 ' OD1' ' HD3' ' A' ' 26' ' ' LYS . 6.6 p30 -100.56 123.43 46.1 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 114.788 -1.096 . . . . 71.43 113.381 -162.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.89 126.08 11.61 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 121.817 1.678 . . . . 74.13 109.882 160.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -85.39 -9.7 57.23 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.827 0.851 . . . . 74.31 112.592 -168.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . 0.74 ' SG ' ' HB2' ' A' ' 79' ' ' ARG . 34.7 t -55.31 -46.06 76.3 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.353 1.061 . . . . 70.44 111.785 178.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.81 -13.16 62.14 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.384 -0.825 . . . . 75.01 111.823 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -92.4 10.83 28.31 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.343 1.057 . . . . 75.43 110.054 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 124.87 -82.5 0.35 Allowed Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.824 -0.625 . . . . 72.02 112.026 170.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -135.58 99.29 0.31 Allowed Glycine 0 C--N 1.343 0.925 0 O-C-N 123.751 0.324 . . . . 43.14 112.562 -169.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 65.1 m -157.28 -159.62 0.87 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.599 1.159 . . . . 73.52 108.674 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 159' ' ' CYS . 97.1 m-85 -69.98 157.63 37.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.206 0.603 . . . . 73.43 109.723 170.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 77.7 p -67.15 151.18 48.04 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.992 0.917 . . . . 73.13 112.301 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . 0.526 ' HB3' ' HB3' ' A' ' 159' ' ' CYS . 25.4 p -104.33 116.34 31.98 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.428 -0.953 . . . . 74.32 108.428 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.443 ' HB3' ' OH ' ' A' ' 133' ' ' TYR . . . -70.83 100.5 1.93 Allowed 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.32 -0.622 . . . . 74.34 109.32 177.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 87.4 mt -57.58 115.4 10.76 Favored Pre-proline 0 C--O 1.246 0.899 0 C-N-CA 124.495 1.118 . . . . 75.15 109.463 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.512 ' HG3' ' HB2' ' A' ' 116' ' ' PRO . 34.7 Cg_exo -60.92 131.39 36.96 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.633 2.222 . . . . 73.31 111.856 -174.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -53.57 167.51 0.93 Allowed 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 123.517 2.811 . . . . 74.22 113.659 176.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -60.46 -28.4 68.28 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.65 -0.705 . . . . 72.24 111.32 173.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.09 -14.82 59.75 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.752 0.821 . . . . 74.31 111.429 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.474 ' ND2' ' H ' ' A' ' 103' ' ' THR . 10.9 m120 -107.01 13.97 26.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.849 0.86 . . . . 71.31 110.762 173.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -95.59 105.93 17.97 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.285 -1.006 . . . . 73.35 108.285 170.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 31.1 m -77.52 150.87 79.95 Favored Pre-proline 0 CA--C 1.556 1.182 0 C-N-CA 123.262 0.625 . . . . 72.22 109.89 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 98' ' ' SER . 28.2 Cg_endo -86.48 22.77 0.89 Allowed 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 123.108 2.539 . . . . 75.52 113.444 -174.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -133.89 157.15 46.71 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.315 0.646 . . . . 74.23 109.859 -177.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.433 ' HB3' HG21 ' A' ' 121' ' ' THR . . . -88.38 123.03 32.54 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.013 0.925 . . . . 63.5 109.931 178.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . 0.519 HD11 HD22 ' A' ' 95' ' ' LEU . 2.5 mp -109.93 92.59 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 107.057 -1.46 . . . . 74.41 107.057 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' THR . . . . . 0.467 ' HB ' HG23 ' A' ' 121' ' ' THR . 2.7 t -103.54 89.08 3.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.374 -0.83 . . . . 74.32 109.752 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -171.83 115.49 0.37 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.192 -1.04 . . . . 73.14 108.192 174.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 168.2 -157.58 29.87 Favored Glycine 0 C--N 1.343 0.943 0 O-C-N 123.703 0.627 . . . . 52.23 111.86 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.74 131.58 51.33 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 107.489 -1.3 . . . . 74.34 107.489 157.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -66.17 150.84 48.15 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.467 0.576 . . . . 71.3 109.957 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 42.8 t -132.75 149.54 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 108.508 -0.923 . . . . 74.24 108.508 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -134.28 113.07 11.57 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.118 -0.697 . . . . 74.54 109.118 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.664 ' HB3' ' HA3' ' A' ' 125' ' ' GLY . . . -53.75 -28.25 33.4 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.396 1.078 . . . . 71.13 112.481 174.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.81 -42.25 93.06 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.077 0.951 . . . . 64.42 110.296 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.37 -44.34 12.88 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.692 0.797 . . . . 63.35 110.132 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 . . . . . 0 CA--C 1.554 1.11 0 C-N-CA 123.825 0.85 . . . . 75.1 109.724 -178.21 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 110.19 -0.3 . . . . 73.35 110.19 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -110.8 89.37 9.21 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 108.385 -0.968 . . . . 74.54 108.385 174.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -82.36 -177.94 3.74 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 123.489 2.793 . . . . 72.1 111.402 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mt -67.89 119.74 68.89 Favored Pre-proline 0 CA--C 1.543 0.681 0 N-CA-C 108.85 -0.796 . . . . 73.01 108.85 167.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -75.85 124.23 7.94 Favored 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 122.469 2.112 . . . . 73.55 109.819 176.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 173.87 -59.89 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.383 0 C-N-CA 125.021 1.328 . . . . 72.41 107.952 -174.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -79.92 37.17 0.65 Allowed 'Trans proline' 0 C--N 1.402 3.352 0 C-N-CA 122.276 1.984 . . . . 74.35 113.873 -177.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 m -76.87 -14.64 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-O 121.434 0.635 . . . . 71.34 109.796 162.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 t -101.28 109.7 21.59 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 106.263 -1.754 . . . . 74.11 106.263 161.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.62 178.45 1.65 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.256 0.836 . . . . 75.41 113.256 -172.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.7 t -51.16 145.09 8.27 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 114.608 -1.178 . . . . 75.35 109.202 162.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -49.61 -26.21 3.43 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.533 1.308 . . . . 73.13 114.533 -167.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.27 -61.27 2.22 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.984 0.913 . . . . 73.21 110.406 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 18' ' ' ARG . . . -74.87 -21.62 59.13 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.163 0.985 . . . . 74.42 111.52 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.441 ' O ' HG13 ' A' ' 19' ' ' ILE . 24.8 t90 -70.8 -57.12 4.96 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.841 0.857 . . . . 74.21 109.848 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -65.86 -31.79 72.93 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.628 0.371 . . . . 74.22 111.207 178.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.0 -49.19 77.69 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.993 0.517 . . . . 75.34 110.657 169.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 5.9 ttt180 -58.03 -46.99 84.43 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 124.611 1.164 . . . . 75.53 110.25 -178.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 15' ' ' TRP . 54.2 mt -66.78 -52.33 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 115.24 -0.891 . . . . 74.14 111.271 -176.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.92 99.56 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.672 0.608 . . . . 65.24 110.842 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.51 -40.69 63.85 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.124 0.57 . . . . 64.21 112.181 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -78.77 -29.11 44.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.405 0.282 . . . . 75.45 110.513 -177.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.0 tpt85 -76.92 -28.59 55.33 Favored 'General case' 0 C--O 1.21 -0.998 0 N-CA-C 108.923 -0.769 . . . . 74.22 108.923 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.72 80.59 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.901 0.48 . . . . 43.41 110.384 171.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.72 -45.67 93.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.681 0.793 . . . . 61.22 109.731 170.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -76.38 -13.88 60.11 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.217 -0.901 . . . . 73.23 112.612 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -77.93 -42.59 32.57 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.684 0.794 . . . . 74.31 110.425 168.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -82.84 -13.4 56.24 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 122.17 -0.331 . . . . 73.3 110.153 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -53.73 -45.24 70.44 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.996 0.918 . . . . 70.11 112.605 174.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.471 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -82.51 -14.38 55.06 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.356 0.502 . . . . 71.13 112.356 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.51 -50.93 4.76 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.272 0.629 . . . . 72.2 112.054 -174.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.9 p -107.96 -58.19 2.01 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.897 0.879 . . . . 74.34 110.581 -172.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -52.44 120.98 6.19 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.23 1.012 . . . . 65.12 111.335 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.38 -11.91 61.21 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.754 1.222 . . . . 75.22 113.062 -168.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -64.6 -24.73 67.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.685 0.794 . . . . 71.23 111.794 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 47.5 t -152.93 87.04 4.07 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 108.442 -0.947 . . . . 70.31 108.442 -174.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -87.28 129.85 2.82 Favored 'Trans proline' 0 C--N 1.367 1.505 0 C-N-CA 122.201 1.934 . . . . 74.31 114.231 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.416 HG13 ' HB2' ' A' ' 30' ' ' LEU . 15.7 mt -81.93 131.62 56.49 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 108.026 -1.102 . . . . 75.11 108.026 164.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.665 ' HD3' ' HA2' ' A' ' 162' ' ' GLY . 87.0 Cg_exo -49.03 130.68 24.31 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 123.634 2.89 . . . . 74.01 112.767 172.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -47.7 -37.9 28.39 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 124.835 3.69 . . . . 73.05 115.683 -169.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.05 83.51 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.335 0.254 . . . . 62.52 110.756 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.22 -33.35 65.29 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.871 0.868 . . . . 75.14 110.6 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -63.45 -22.24 66.77 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.617 0.767 . . . . 75.14 111.461 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.93 -35.06 89.85 Favored Glycine 0 C--N 1.348 1.241 0 CA-C-N 116.416 -0.357 . . . . 75.32 113.013 171.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.81 13.82 15.28 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.756 0.822 . . . . 72.43 112.11 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -88.56 119.4 28.98 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.655 -0.498 . . . . 74.52 109.655 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -108.22 -47.96 3.44 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 108.04 -1.096 . . . . 73.44 108.04 166.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.47 146.52 4.82 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 114.624 -1.171 . . . . 63.43 110.344 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.17 106.69 6.81 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.556 -0.905 . . . . 74.12 108.556 176.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 185' ' ' ARG . 0.0 OUTLIER -71.89 172.03 10.65 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.527 -0.916 . . . . 74.24 108.527 170.464 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.448 ' HA ' ' HB2' ' A' ' 185' ' ' ARG . 3.1 p90 -166.6 164.66 16.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.167 0.587 . . . . 75.15 110.332 -170.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -59.9 155.73 15.88 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.024 0.828 . . . . 65.32 109.421 171.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -74.8 150.82 39.18 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 108.128 -1.064 . . . . 73.11 108.128 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -69.14 122.25 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 109.405 -0.591 . . . . 72.43 109.405 -167.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -112.26 128.32 56.23 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 122.976 0.51 . . . . 74.34 109.9 -172.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.09 -9.29 59.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.519 1.128 . . . . 73.03 112.096 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.1 m -70.28 -31.59 69.02 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.853 0.461 . . . . 74.43 110.619 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.498 ' HB2' ' HB1' ' A' ' 182' ' ' ALA . 61.1 m-85 -104.17 12.65 33.59 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.444 0.698 . . . . 74.31 110.316 -178.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -93.35 83.26 4.55 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 107.194 -1.41 . . . . 75.44 107.194 165.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 m -104.07 170.19 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-O 120.925 0.393 . . . . 75.31 110.418 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.77 145.2 43.01 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.753 -0.832 . . . . 75.45 108.753 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . . . -127.63 141.18 51.69 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.27 0.628 . . . . 71.42 110.448 -178.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.4 ttm105 -73.66 116.32 14.11 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.01 -0.737 . . . . 74.3 109.01 -176.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -77.86 106.88 9.99 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.389 -0.823 . . . . 72.45 109.037 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -106.58 97.6 17.43 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 107.688 -1.227 . . . . 73.55 107.688 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -63.48 144.22 89.94 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 122.526 2.151 . . . . 72.13 110.482 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.0 98.53 0.43 Allowed 'General case' 0 C--N 1.345 0.405 0 CA-C-O 121.349 0.595 . . . . 74.42 110.232 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -61.87 -35.16 77.49 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.337 -1.301 . . . . 75.55 109.8 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -126.32 96.26 36.82 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 124.752 1.221 . . . . 71.31 108.921 168.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.02 121.11 5.24 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 122.508 2.139 . . . . 73.02 112.779 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -120.0 140.85 50.32 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.27 0.628 . . . . 75.51 111.546 -177.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.14 110.16 15.29 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.109 0.964 . . . . 65.14 110.129 174.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 m -106.52 160.04 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.24 1.016 . . . . 73.24 109.946 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -109.65 120.05 41.29 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.938 0.895 . . . . 73.13 108.646 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.611 ' HB2' ' HB2' ' A' ' 168' ' ' ALA . 0.7 OUTLIER -113.82 127.21 55.91 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 107.476 -1.305 . . . . 75.44 107.476 175.058 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.09 153.26 41.33 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 117.984 0.356 . . . . 74.24 110.322 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.7 p -128.5 167.17 17.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.576 0.35 . . . . 74.34 110.658 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.1 p -92.73 -26.66 17.66 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.152 0.981 . . . . 74.12 111.737 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.7 -30.07 59.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.214 0.606 . . . . 74.01 112.254 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.64 -123.11 1.05 Allowed Glycine 0 C--N 1.348 1.215 0 CA-C-O 118.888 -0.951 . . . . 70.33 112.968 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -68.88 153.64 72.38 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 123.305 2.67 . . . . 54.14 112.791 -172.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.06 140.77 91.54 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.68 2.254 . . . . 73.04 112.626 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.04 125.97 40.95 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 124.188 0.995 . . . . 74.42 109.395 -176.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -83.27 133.46 34.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.255 0.622 . . . . 74.22 110.048 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -141.07 136.37 31.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.372 0.669 . . . . 64.32 109.754 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -94.37 132.19 39.24 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.413 -0.958 . . . . 75.21 108.413 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.529 ' HD2' HG22 ' A' ' 103' ' ' THR . 10.3 mtm180 -72.87 113.31 9.76 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.09 -0.707 . . . . 75.32 109.09 -175.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 106' ' ' ARG . . . -84.05 -42.79 15.78 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.08 0.952 . . . . 73.12 111.191 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.99 174.61 15.09 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.165 -0.925 . . . . 74.14 109.895 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.5 HG12 HG22 ' A' ' 101' ' ' THR . 0.1 OUTLIER -139.24 119.89 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.025 0 N-CA-C 107.706 -1.22 . . . . 73.04 107.706 174.37 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.419 HD22 ' HB2' ' A' ' 104' ' ' ALA . 1.5 mm? -96.96 117.95 32.28 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.147 0.979 . . . . 72.35 110.798 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.58 121.26 6.19 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-O 119.648 -0.529 . . . . 72.53 112.136 -176.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.422 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 33.9 p90 -155.1 -176.21 5.82 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 117.587 0.693 . . . . 73.53 110.206 -173.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -135.07 160.06 39.53 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 123.133 0.573 . . . . 73.41 110.359 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.6 tp -159.02 135.11 8.96 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 107.247 -1.39 . . . . 72.14 107.247 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.11 -108.56 2.45 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-N 117.988 0.358 . . . . 64.43 112.954 -174.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -123.89 10.1 8.86 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.221 1.009 . . . . 70.42 109.39 175.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m -117.9 121.46 40.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.639 0.375 . . . . 72.11 110.952 -171.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -98.22 129.91 44.96 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.442 -0.947 . . . . 73.24 108.442 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -143.79 165.55 27.36 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.48 0.657 . . . . 75.13 110.582 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.5 HG22 HG12 ' A' ' 90' ' ' VAL . 3.2 m -124.89 119.34 28.53 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 107.091 -1.448 . . . . 73.33 107.091 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mp -104.67 133.94 48.66 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.386 -0.968 . . . . 72.11 108.386 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.529 HG22 ' HD2' ' A' ' 87' ' ' ARG . 58.3 m -84.65 133.55 34.4 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 120.823 0.344 . . . . 74.45 110.368 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.517 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -98.08 121.11 39.6 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 107.822 -1.177 . . . . 74.05 107.822 171.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -94.3 160.96 14.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.574 0.702 . . . . 74.15 111.384 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.499 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 42.3 ttm180 -101.78 113.38 26.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.057 -1.429 . . . . 73.24 108.412 -173.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.94 110.2 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.445 1.098 . . . . 61.53 108.841 177.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.3 122.76 13.28 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.636 1.575 . . . . 65.42 112.282 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.86 -16.7 56.19 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.756 -0.657 . . . . 61.21 113.429 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -88.21 120.74 29.86 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.664 0.786 . . . . 71.4 110.173 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.2 t -60.19 -24.67 64.98 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.377 1.471 . . . . 71.3 113.391 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.3 m -98.85 166.99 11.04 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.069 0.547 . . . . 75.53 111.249 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . 82.9 mt -101.36 137.48 39.65 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.715 1.206 . . . . 75.04 108.892 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -94.02 97.18 10.15 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.965 -0.754 . . . . 72.33 108.965 -170.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 104' ' ' ALA . 55.1 t -104.96 107.22 58.17 Favored Pre-proline 0 N--CA 1.483 1.223 0 C-N-CA 123.008 0.523 . . . . 71.41 110.146 -176.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.8 144.97 17.66 Favored 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 122.215 1.943 . . . . 74.4 110.071 168.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -159.57 156.48 28.13 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 122.372 -0.205 . . . . 74.43 110.562 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.8 p -121.15 145.8 47.44 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.096 -0.705 . . . . 75.45 109.096 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -118.29 -173.77 2.53 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.547 1.139 . . . . 70.12 109.035 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -81.03 -21.47 40.12 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 109.994 -0.373 . . . . 75.44 109.994 163.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.9 m -71.53 -34.89 70.45 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.171 0.988 . . . . 64.34 111.004 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 60.4 p -71.41 -39.31 71.18 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.708 -0.678 . . . . 73.25 109.822 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.07 -35.21 77.95 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.131 0.972 . . . . 74.54 110.941 172.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -74.6 -18.53 60.55 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.551 1.14 . . . . 74.45 110.849 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 92.33 -21.59 37.09 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 119.138 -0.812 . . . . 63.43 114.96 175.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -73.19 -12.5 60.9 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 117.881 0.841 . . . . 73.32 113.205 -170.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.542 ' HB ' ' HD3' ' A' ' 132' ' ' ARG . 59.9 p -123.63 155.98 36.7 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 106.538 -1.653 . . . . 71.52 106.538 159.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -40.89 118.19 0.95 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 113.685 0.994 . . . . 71.22 113.685 -170.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.15 -34.87 70.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.605 1.162 . . . . 74.44 112.69 -173.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.486 ' HD1' ' HZ ' ' A' ' 165' ' ' PHE . 41.2 m80 -84.36 9.01 14.27 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.543 0.737 . . . . 72.53 111.591 -177.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 108.02 178.21 22.13 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 116.049 -0.523 . . . . 75.05 112.273 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.78 HH11 ' HG3' ' A' ' 184' ' ' GLU . 78.3 mtm180 -130.74 -179.97 5.61 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 124.903 1.281 . . . . 73.04 108.854 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -126.49 157.46 38.65 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 124.686 1.195 . . . . 73.31 109.986 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.9 tt -141.93 121.13 13.02 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 105.28 -2.118 . . . . 72.34 105.28 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -98.19 109.34 22.11 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.096 -1.446 . . . . 75.41 107.096 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 113' ' ' LEU . 89.0 t -98.92 123.5 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 115.279 -0.873 . . . . 74.21 110.506 -169.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -82.35 114.71 53.33 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 107.115 -1.439 . . . . 65.23 107.115 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.33 -23.89 72.02 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.768 2.312 . . . . 74.33 113.619 -175.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 52.85 32.14 11.88 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 114.294 1.22 . . . . 73.21 114.294 176.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 65.86 25.76 71.98 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.661 -0.7 . . . . 73.43 113.997 -176.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.65 163.4 23.9 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.239 0.829 . . . . 65.4 113.239 -175.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -139.09 174.17 10.79 Favored 'General case' 0 C--O 1.253 1.275 0 C-N-CA 124.772 1.229 . . . . 72.11 108.119 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.66 108.74 2.12 Favored Glycine 0 C--N 1.342 0.917 0 C-N-CA 123.27 0.462 . . . . 75.3 113.495 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.35 10.44 44.77 Favored Glycine 0 C--N 1.343 0.949 0 O-C-N 124.142 0.554 . . . . 74.14 113.317 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.48 -170.75 3.22 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 109.33 -0.618 . . . . 75.54 109.33 167.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -128.15 158.73 37.23 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.775 0.43 . . . . 62.33 110.38 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 15.9 m -135.94 146.51 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 108.429 -0.952 . . . . 75.43 108.429 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.8 105.96 6.11 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 122.738 0.415 . . . . 61.03 110.506 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 7.3 mt -94.81 86.32 4.67 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-O 122.548 1.166 . . . . 75.1 109.228 173.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.64 105.97 17.71 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 113.421 -1.718 . . . . 74.12 109.027 173.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.512 ' HB3' HG23 ' A' ' 180' ' ' ILE . 24.9 m-85 -71.59 -15.27 62.26 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.514 0.726 . . . . 73.45 110.481 174.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . 0.525 ' HB3' ' HB2' ' A' ' 182' ' ' ALA . 2.0 p-10 -76.69 -3.83 40.06 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.56 1.144 . . . . 73.2 112.681 173.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -112.44 5.61 18.18 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.176 0.591 . . . . 74.41 111.151 168.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.79 131.02 49.62 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.41 0.624 . . . . 74.11 111.845 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -99.45 166.47 11.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.103 1.361 . . . . 74.01 109.665 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -152.48 141.97 14.57 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 124.467 1.107 . . . . 74.1 108.165 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.39 120.43 7.38 Favored 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 121.212 1.274 . . . . 71.11 110.605 177.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -85.6 -2.75 58.49 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.742 0.817 . . . . 75.21 112.338 -175.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 11.0 m -62.02 -20.4 63.88 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.183 0.993 . . . . 64.24 112.197 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.7 -32.47 73.97 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.0 0.52 . . . . 60.03 112.063 174.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -65.07 -12.3 49.1 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.652 0.781 . . . . 74.43 110.962 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.665 ' HA2' ' HD3' ' A' ' 39' ' ' PRO . . . -93.23 -40.13 4.91 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 124.122 0.889 . . . . 54.44 111.042 172.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 163.71 -40.65 0.32 Allowed Glycine 0 C--N 1.352 1.434 0 O-C-N 123.39 0.112 . . . . 53.33 112.876 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.1 t -157.26 162.29 39.21 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.037 0.935 . . . . 72.41 109.542 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.486 ' HZ ' ' HD1' ' A' ' 130' ' ' HIS . 2.0 p90 -152.96 139.19 18.39 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.667 0.387 . . . . 72.33 110.868 -168.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 63.3 p -83.64 94.12 8.03 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 109.26 -0.645 . . . . 75.22 109.26 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 53.2 t -121.93 112.68 18.6 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 108.229 -1.026 . . . . 65.34 108.229 173.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.611 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . . . -71.15 112.19 7.1 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 108.225 -1.028 . . . . 75.2 108.225 170.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 68.6 mt -59.18 122.69 65.24 Favored Pre-proline 0 CA--C 1.547 0.864 0 O-C-N 124.405 1.065 . . . . 71.31 109.613 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.71 146.67 96.54 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.792 2.328 . . . . 73.34 112.479 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.19 158.73 21.05 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 122.243 1.962 . . . . 74.23 112.571 168.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -54.04 -27.96 35.58 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 114.022 1.119 . . . . 75.14 114.022 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -79.46 -15.39 57.88 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.178 0.513 . . . . 74.05 110.753 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.446 HD22 ' H ' ' A' ' 103' ' ' THR . 9.0 m120 -88.73 8.24 29.79 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.163 0.985 . . . . 74.41 110.66 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -90.25 122.86 33.55 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.854 -0.529 . . . . 71.13 109.91 172.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 41.4 t -98.43 109.99 54.83 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.568 1.147 . . . . 74.24 108.094 170.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.69 57.04 2.4 Favored 'Trans proline' 0 C--N 1.374 1.913 0 C-N-CA 124.087 3.191 . . . . 73.44 113.274 173.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -146.06 145.1 30.44 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.292 1.037 . . . . 73.45 108.892 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -84.35 103.5 13.57 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.281 0.633 . . . . 72.51 109.441 177.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 151' ' ' PHE . 1.9 mp -85.95 98.02 6.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 108.463 -0.94 . . . . 74.21 108.463 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 40.7 p -105.44 67.75 0.78 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 122.547 1.165 . . . . 73.51 108.77 171.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 152' ' ' ASN . . . -99.32 -174.64 2.79 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 113.571 -1.65 . . . . 64.13 106.79 170.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -75.31 92.14 0.85 Allowed Glycine 0 C--N 1.359 1.824 0 C-N-CA 118.2 -1.952 . . . . 62.31 111.42 -178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . 0.78 ' HG3' HH11 ' A' ' 132' ' ' ARG . 0.3 OUTLIER -143.7 160.46 40.66 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.865 2.066 . . . . 75.55 107.593 170.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 50' ' ' ARG . 75.3 ttt-85 -171.93 135.39 0.82 Allowed 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 117.925 0.33 . . . . 73.5 110.842 169.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 12.2 t -124.33 150.46 29.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 N-CA-C 107.313 -1.366 . . . . 74.24 107.313 166.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . 0.516 ' HB2' HD23 ' A' ' 190' ' ' LEU . 14.1 m-20 -73.75 125.09 27.32 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.982 0.513 . . . . 63.22 110.754 -175.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -57.39 -23.44 49.25 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.334 1.054 . . . . 74.34 112.982 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -63.07 -36.38 83.39 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.179 0.991 . . . . 72.55 111.243 174.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 187' ' ' ASP . 3.6 mm? -93.16 -56.51 2.93 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.65 0.78 . . . . 73.32 110.183 -178.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 . . . . . 0 C--O 1.251 1.172 0 C-N-CA 123.553 0.741 . . . . 74.13 109.659 177.589 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.961 0.41 . . . . 64.22 110.558 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.9 t -69.76 -38.69 10.03 Favored Pre-proline 0 CA--C 1.562 1.407 0 CA-C-N 115.249 -0.887 . . . . 64.31 110.397 166.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -71.24 166.52 28.99 Favored 'Trans proline' 0 C--N 1.387 2.579 0 C-N-CA 121.446 1.43 . . . . 75.51 111.423 162.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 tt -66.57 132.93 94.2 Favored Pre-proline 0 CA--C 1.561 1.369 0 N-CA-C 109.314 -0.624 . . . . 74.2 109.314 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.439 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 19.5 Cg_endo -67.48 127.43 16.45 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 121.936 1.757 . . . . 74.43 110.997 -177.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mt -172.63 -59.98 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.192 1.397 . . . . 74.34 108.953 -173.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -84.06 36.25 0.58 Allowed 'Trans proline' 0 C--N 1.393 2.874 0 C-N-CA 122.201 1.934 . . . . 73.33 112.618 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.65 -28.85 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.671 0.788 . . . . 74.11 109.603 171.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -87.78 104.13 16.28 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 106.432 -1.692 . . . . 75.25 106.432 156.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -71.53 -179.3 2.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.379 -0.826 . . . . 75.31 111.833 -169.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.8 t -54.24 135.45 44.28 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 109.225 -0.657 . . . . 75.51 109.225 172.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -45.86 -38.35 7.26 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 115.105 1.521 . . . . 72.35 115.105 -159.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.29 -52.61 21.61 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.915 0.486 . . . . 72.33 110.712 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -63.42 -42.83 98.74 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.748 0.819 . . . . 75.24 110.408 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.454 ' NE1' HD13 ' A' ' 19' ' ' ILE . 28.2 t90 -56.91 -49.11 76.59 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.885 1.274 . . . . 75.23 110.788 177.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.21 -42.67 99.01 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.476 -0.784 . . . . 74.43 110.735 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.48 99.35 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.777 0.673 . . . . 61.24 111.979 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 34.6 mmt180 -63.05 -47.84 81.27 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.71 0.404 . . . . 74.4 110.35 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.596 HG23 HD11 ' A' ' 153' ' ' LEU . 57.4 mt -65.31 -37.73 80.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 116.388 -0.369 . . . . 75.44 110.492 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . . . -60.6 -44.17 96.56 Favored 'General case' 0 C--O 1.251 1.169 0 C-N-CA 123.032 0.533 . . . . 75.33 110.314 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.29 93.61 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.92 -1.037 . . . . 73.1 110.445 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -68.78 -32.48 72.24 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.871 -0.604 . . . . 62.1 111.498 175.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HE ' ' HA ' ' A' ' 20' ' ' ALA . 71.7 mtm180 -65.47 -51.47 59.88 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 107.668 -1.234 . . . . 75.01 107.668 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.55 -51.83 65.75 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.382 1.051 . . . . 72.13 111.301 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.53 -53.59 27.16 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 124.013 0.821 . . . . 74.5 112.046 -174.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 155' ' ' TYR . 29.3 mmmt -71.74 -20.28 61.91 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.649 0.379 . . . . 74.23 111.346 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.0 -38.39 27.58 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.156 0.582 . . . . 62.13 111.058 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -84.25 -16.66 42.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 122.249 -0.282 . . . . 64.35 111.104 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -47.5 -53.6 13.87 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.574 1.55 . . . . 73.41 112.107 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.516 ' H ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.91 -8.88 52.36 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.4 -0.818 . . . . 75.02 113.182 -174.128 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.51 -51.03 3.42 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.202 0.601 . . . . 64.53 110.295 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -81.46 -58.49 3.01 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.433 0.693 . . . . 61.4 110.848 -170.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -52.93 106.36 0.16 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.491 1.117 . . . . 75.11 110.915 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -76.69 -8.56 57.5 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.428 0.691 . . . . 73.4 111.682 -173.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -11.83 58.64 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.107 0.563 . . . . 72.4 109.821 172.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -142.35 59.09 8.38 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.247 0.619 . . . . 53.54 109.459 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -84.11 166.27 12.83 Favored 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.561 2.174 . . . . 74.11 113.376 -172.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -118.59 136.77 24.27 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 124.13 0.972 . . . . 72.14 108.661 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.2 135.21 59.21 Favored 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.057 2.505 . . . . 75.4 112.649 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.504 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 11.9 Cg_endo -52.73 -19.37 10.56 Favored 'Trans proline' 0 C--N 1.387 2.596 0 C-N-CA 124.063 3.175 . . . . 72.42 114.576 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.33 57.69 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.64 0.376 . . . . 63.42 111.323 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.43 -37.08 52.46 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.067 0.547 . . . . 74.41 110.002 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 75.3 ttt180 -68.23 -14.5 63.03 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.11 -0.95 . . . . 73.4 111.594 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.52 -36.43 92.57 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 111.51 -0.636 . . . . 73.31 111.51 171.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.82 2.19 31.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.842 0.857 . . . . 72.14 113.214 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -81.15 112.79 18.83 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 109.255 -0.646 . . . . 71.3 109.255 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -138.52 24.7 2.66 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.388 -1.338 . . . . 72.21 107.388 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.95 115.66 2.6 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 114.438 -1.256 . . . . 53.0 110.245 -165.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.48 176.93 5.64 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 117.561 0.68 . . . . 73.4 109.731 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -70.83 112.88 7.37 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.197 0.522 . . . . 71.12 109.863 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -128.25 118.89 24.09 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.125 -1.435 . . . . 71.2 107.125 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -83.03 175.15 10.25 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.249 1.019 . . . . 74.34 109.761 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -78.04 169.97 17.38 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.575 -0.898 . . . . 70.31 108.575 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 mp -73.38 116.07 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 N-CA-C 109.523 -0.547 . . . . 71.24 109.523 -173.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -90.6 105.34 17.75 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.089 0.956 . . . . 75.24 110.339 -172.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.65 -17.1 58.06 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.19 0.596 . . . . 70.51 112.577 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.2 t -67.32 -47.46 70.47 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.562 0.745 . . . . 62.54 111.552 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -94.59 34.69 1.29 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.219 1.008 . . . . 73.25 112.598 -175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 31.6 ptt180 -104.17 102.96 12.68 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.935 -1.135 . . . . 74.15 107.935 162.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.4 m -100.53 161.0 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.184 -0.673 . . . . 73.53 109.184 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.36 113.33 26.74 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.373 -0.973 . . . . 71.11 108.373 175.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.433 ' HB2' ' HB3' ' A' ' 91' ' ' LEU . . . -104.23 131.36 51.63 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.349 0.66 . . . . 73.51 109.909 -173.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -74.18 118.23 16.9 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 123.504 0.721 . . . . 74.32 109.14 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -84.34 123.34 30.08 Favored 'General case' 0 C--O 1.253 1.284 0 C-N-CA 124.65 1.18 . . . . 73.23 110.262 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -128.3 105.07 19.71 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.06 0.944 . . . . 74.31 108.601 170.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 52.6 Cg_endo -66.42 150.04 84.47 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.458 2.105 . . . . 55.4 111.074 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.91 122.42 17.32 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.641 0.376 . . . . 63.35 110.642 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -54.41 -39.85 67.69 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.288 1.035 . . . . 75.12 111.462 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -128.52 94.17 36.08 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 123.353 0.661 . . . . 73.15 110.038 172.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.41 120.73 7.99 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.125 1.883 . . . . 73.22 111.188 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 10.9 pt-20 -139.16 156.23 47.28 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.252 0.621 . . . . 74.24 110.828 -176.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.56 121.45 25.26 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 123.57 0.544 . . . . 71.25 110.492 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.2 m -118.81 155.2 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.154 1.381 . . . . 74.45 108.563 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.86 129.35 46.72 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.402 0.62 . . . . 75.22 109.663 176.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -108.48 133.93 51.96 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 106.037 -1.838 . . . . 73.31 106.037 170.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.56 ' HB2' ' HB2' ' A' ' 169' ' ' LEU . 42.0 mt-10 -65.5 162.93 16.96 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 117.939 0.336 . . . . 71.43 110.455 -176.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.4 p -135.03 159.2 42.26 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.09 -0.707 . . . . 73.41 109.09 173.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.9 p -85.97 -22.91 27.11 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.124 -0.944 . . . . 71.33 110.863 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.448 ' HD3' ' HB3' ' A' ' 166' ' ' SER . 35.1 ptt85 -84.84 -25.42 28.09 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.438 0.903 . . . . 75.02 113.438 -175.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.84 -118.19 0.88 Allowed Glycine 0 N--CA 1.475 1.299 0 CA-C-O 118.667 -1.074 . . . . 50.41 112.475 -171.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -57.39 135.55 70.71 Favored 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 123.507 2.805 . . . . 72.41 112.601 -174.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.75 147.06 74.72 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.898 2.399 . . . . 73.13 112.639 -174.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.55 109.66 17.58 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.885 0.874 . . . . 74.21 109.103 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.12 127.53 41.25 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.783 0.433 . . . . 73.23 110.446 -176.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.54 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.7 m-85 -138.2 155.56 48.55 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.375 0.67 . . . . 73.1 109.226 -174.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 74.1 m -87.51 152.3 22.32 Favored 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 109.52 -0.548 . . . . 74.21 109.52 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.445 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 26.0 mtm180 -77.38 109.51 11.36 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.995 0.816 . . . . 74.15 109.786 174.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 106' ' ' ARG . . . -88.83 -54.24 4.23 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.099 0.476 . . . . 72.45 111.06 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -156.0 172.48 18.32 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.352 -0.84 . . . . 72.52 110.91 -171.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 36.5 t -136.08 120.37 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 N-CA-C 106.955 -1.498 . . . . 73.12 106.955 173.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . 3.2 mm? -101.39 120.32 40.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.597 1.159 . . . . 73.3 110.873 -176.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.77 129.71 9.97 Favored Glycine 0 C--N 1.347 1.151 0 N-CA-C 110.777 -0.929 . . . . 62.51 110.777 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -152.19 -173.03 4.41 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 117.793 0.796 . . . . 73.44 108.993 -175.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.559 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 6.7 p-10 -129.07 139.9 51.82 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 122.516 0.326 . . . . 71.02 110.643 173.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.6 mt -146.89 139.89 25.27 Favored 'General case' 0 C--O 1.257 1.471 0 C-N-CA 124.594 1.158 . . . . 72.25 109.75 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.6 -109.27 2.25 Favored Glycine 0 C--N 1.347 1.191 0 O-C-N 124.045 0.841 . . . . 74.23 114.231 167.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.06 -31.09 62.71 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.615 1.166 . . . . 73.45 113.17 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.2 m -159.92 -179.41 7.79 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 114.504 1.298 . . . . 72.52 114.504 -166.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 56.4 p-80 -84.48 119.72 25.48 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.201 -1.363 . . . . 74.34 108.595 171.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -127.55 163.12 24.87 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.801 0.84 . . . . 73.23 110.0 -171.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.0 m -135.81 141.8 44.77 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.141 -0.481 . . . . 74.55 111.169 -168.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.8 mt -123.19 141.35 52.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.635 0.774 . . . . 71.15 109.822 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.7 m -92.27 130.1 38.05 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.825 -0.435 . . . . 71.25 109.825 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.446 ' HA ' HG23 ' A' ' 115' ' ' VAL . . . -102.59 130.45 49.47 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.272 1.029 . . . . 73.34 109.666 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.54 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 55.1 m-85 -105.47 154.5 20.26 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 112.367 0.506 . . . . 71.22 112.367 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.54 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 55.9 ttm-85 -106.54 130.86 54.24 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.113 0.965 . . . . 71.41 108.783 -178.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.564 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 70.5 t -109.82 128.58 65.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.117 -0.947 . . . . 72.31 108.69 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.44 131.62 50.66 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.811 0.844 . . . . 73.3 110.389 172.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.06 -23.82 8.88 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.919 -0.378 . . . . 70.52 113.068 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.564 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 12.1 tp10 -105.07 130.83 53.17 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.552 0.741 . . . . 73.11 110.186 -176.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.7 t -81.52 -18.84 43.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.147 0.979 . . . . 61.34 111.746 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.3 m -95.38 138.56 32.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.054 0.542 . . . . 72.41 110.859 -176.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 138' ' ' PRO . 22.8 mt -81.9 130.16 34.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.533 1.133 . . . . 74.32 110.594 -176.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -88.06 112.67 22.89 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.073 -0.714 . . . . 75.02 109.073 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 104' ' ' ALA . 40.3 t -114.43 98.56 49.28 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.286 1.035 . . . . 72.51 109.024 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -80.04 130.59 8.46 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 122.254 1.97 . . . . 75.41 109.615 165.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -153.02 156.2 38.34 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.23 0.538 . . . . 75.14 112.017 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.6 p -113.55 155.33 25.59 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.898 -1.046 . . . . 73.14 108.634 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -137.07 -168.12 2.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.889 0.876 . . . . 72.53 109.152 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.06 -26.26 48.16 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.208 0.458 . . . . 74.42 111.079 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -25.74 68.0 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 123.955 0.902 . . . . 74.1 111.744 -175.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.443 HG21 ' HD1' ' A' ' 128' ' ' TYR . 69.8 p -66.53 -36.64 83.19 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.898 0.879 . . . . 73.13 112.191 176.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.88 -17.87 64.05 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.367 -0.833 . . . . 62.51 111.877 -174.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -74.08 -21.37 59.94 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.332 0.653 . . . . 72.13 111.545 173.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.24 -15.52 11.61 Favored Glycine 0 C--N 1.352 1.454 0 N-CA-C 115.134 0.814 . . . . 64.41 115.134 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -71.59 -53.9 12.22 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 117.523 0.661 . . . . 75.1 110.112 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.7 p -94.49 133.98 37.52 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 118.403 -0.808 . . . . 71.52 109.293 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.443 ' HD1' HG21 ' A' ' 122' ' ' THR . 7.3 p90 24.7 68.09 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 126.153 1.781 . . . . 71.21 114.721 165.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.06 -10.29 4.12 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 114.528 1.307 . . . . 74.31 114.528 -168.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -107.78 10.55 28.73 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.684 0.794 . . . . 72.43 112.343 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.425 ' HA2' HG22 ' A' ' 122' ' ' THR . . . 107.41 174.67 22.5 Favored Glycine 0 C--N 1.343 0.967 0 N-CA-C 111.476 -0.65 . . . . 71.12 111.476 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -119.86 153.53 35.68 Favored 'General case' 0 C--O 1.256 1.403 0 C-N-CA 124.113 0.965 . . . . 73.35 108.478 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.584 ' HD2' ' HD2' ' A' ' 155' ' ' TYR . 0.0 OUTLIER -100.55 165.13 11.57 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.236 -1.024 . . . . 75.42 108.236 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.448 HD22 HG22 ' A' ' 136' ' ' VAL . 0.8 OUTLIER -149.01 145.27 27.22 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 107.27 -1.382 . . . . 75.41 107.27 170.259 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 4.2 p-10 -121.38 101.27 7.52 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 107.463 -1.31 . . . . 71.44 107.463 171.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.448 HG22 HD22 ' A' ' 134' ' ' LEU . 46.6 t -95.25 139.91 17.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 115.142 -0.936 . . . . 65.44 109.113 -171.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -85.81 117.59 69.01 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 108.03 -1.1 . . . . 70.34 108.03 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.418 ' HB3' HD11 ' A' ' 113' ' ' LEU . 35.4 Cg_endo -65.41 -24.41 57.18 Favored 'Trans proline' 0 C--N 1.382 2.317 0 C-N-CA 122.535 2.157 . . . . 62.21 112.376 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 62.91 19.62 11.68 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.739 1.275 . . . . 75.41 111.771 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.96 37.68 53.88 Favored Glycine 0 C--N 1.358 1.765 0 CA-C-N 116.145 -0.48 . . . . 74.42 113.815 -166.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.56 161.96 27.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.435 0.694 . . . . 74.24 110.1 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -136.3 -173.35 3.38 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.094 0.558 . . . . 74.4 110.69 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.38 108.66 2.04 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-N 115.012 -0.995 . . . . 64.03 113.126 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.8 -9.16 34.42 Favored Glycine 0 C--N 1.336 0.574 0 CA-C-O 119.506 -0.608 . . . . 74.53 113.463 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.439 ' HB3' ' HG2' ' A' ' 5' ' ' PRO . 26.5 m-20 -80.92 -179.63 7.41 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.544 -0.91 . . . . 75.24 108.544 169.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -138.9 155.34 48.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.69 0.757 . . . . 72.34 111.308 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.04 146.08 28.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 N-CA-C 107.294 -1.372 . . . . 73.52 107.294 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.89 122.1 25.02 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.905 -0.406 . . . . 74.21 109.905 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.4 mt -92.48 85.07 5.22 Favored 'General case' 0 C--O 1.249 1.054 0 N-CA-C 107.821 -1.177 . . . . 73.24 107.821 169.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.475 ' HB2' HD22 ' A' ' 153' ' ' LEU . 2.9 m-20 -79.71 100.85 8.09 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 114.23 -1.35 . . . . 61.11 107.479 170.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -69.4 -14.73 63.06 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.203 0.601 . . . . 75.4 110.766 178.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . 0.507 ' HA ' ' H ' ' A' ' 183' ' ' GLY . 39.8 p30 -70.24 -23.82 62.97 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.471 0.708 . . . . 72.51 112.236 175.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -75.72 -20.92 58.0 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 118.878 -0.582 . . . . 70.54 111.414 176.08 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -40.49 139.25 0.81 Allowed 'General case' 0 N--CA 1.482 1.157 0 O-C-N 125.153 1.533 . . . . 74.21 114.064 -164.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.584 ' HD2' ' HD2' ' A' ' 133' ' ' TYR . 54.0 t80 -96.12 165.18 12.36 Favored 'General case' 0 C--O 1.262 1.712 0 CA-C-N 115.16 -0.927 . . . . 75.53 109.802 -168.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -94.56 122.2 61.46 Favored Pre-proline 0 N--CA 1.446 -0.653 0 CA-C-N 114.055 -1.43 . . . . 74.54 112.037 -160.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . 0.431 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 6.7 Cg_exo -76.3 125.6 8.57 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.561 2.174 . . . . 74.12 108.136 162.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.453 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 69.5 m-85 -74.38 -4.59 37.37 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.849 0.685 . . . . 73.32 112.849 -172.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 66.1 m -64.78 -25.52 67.96 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.818 0.847 . . . . 72.42 111.392 170.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -80.91 9.69 6.09 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.981 0.913 . . . . 73.55 112.02 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . 0.453 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 37.3 m-85 -115.16 -8.87 12.36 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.316 1.047 . . . . 73.42 108.999 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.56 -87.64 0.82 Allowed Glycine 0 C--N 1.351 1.396 0 CA-C-N 115.877 -0.601 . . . . 63.24 113.26 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -94.95 22.76 36.45 Favored Glycine 0 N--CA 1.476 1.349 0 N-CA-C 114.561 0.584 . . . . 65.44 114.561 -165.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 16.5 p -140.04 68.9 1.35 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.367 -1.346 . . . . 74.02 107.367 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -88.83 78.47 7.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.852 0.834 . . . . 74.23 110.879 -162.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.448 ' HB3' ' HD3' ' A' ' 79' ' ' ARG . 16.2 p -119.37 100.77 7.51 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.705 0.802 . . . . 71.32 110.25 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 157' ' ' PRO . 43.8 t -130.28 133.61 46.62 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.518 0.727 . . . . 63.22 110.074 174.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -80.56 99.68 8.21 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 108.903 -0.777 . . . . 65.42 108.903 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.56 ' HB2' ' HB2' ' A' ' 76' ' ' GLU . 62.0 mt -68.13 121.69 81.12 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.363 1.065 . . . . 75.53 110.378 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.498 ' HB2' ' HB2' ' A' ' 174' ' ' ASN . 68.5 Cg_endo -82.33 166.13 16.24 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 123.09 2.526 . . . . 70.52 112.868 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.98 169.57 21.87 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.283 1.989 . . . . 73.13 111.767 169.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.15 -21.12 64.8 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.361 0.664 . . . . 72.13 112.194 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.04 -22.78 63.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.003 0.921 . . . . 73.23 111.056 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 170' ' ' PRO . 3.9 m-20 -104.37 35.78 2.6 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.066 0.947 . . . . 74.45 109.833 176.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -109.44 124.23 50.68 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 109.042 -0.725 . . . . 74.34 109.042 170.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 41.8 t -97.49 120.26 61.11 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 108.613 -0.884 . . . . 73.41 108.613 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -73.62 50.05 1.94 Allowed 'Trans proline' 0 C--N 1.37 1.664 0 C-N-CA 123.792 2.995 . . . . 75.34 112.944 171.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -145.83 152.48 39.58 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.166 0.986 . . . . 74.12 108.555 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -93.44 113.07 25.13 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.762 0.425 . . . . 75.3 110.094 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.3 mp -96.87 98.27 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 108.274 -1.01 . . . . 74.22 108.274 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 26.9 p -97.31 58.39 1.5 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.488 1.137 . . . . 75.14 109.714 174.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -116.31 176.79 4.94 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 113.65 -1.613 . . . . 71.33 107.454 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.507 ' H ' ' HA ' ' A' ' 152' ' ' ASN . . . -39.05 108.86 0.09 OUTLIER Glycine 0 N--CA 1.492 2.382 0 O-C-N 124.417 1.073 . . . . 70.13 113.83 -171.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -127.17 157.76 38.88 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 124.57 1.148 . . . . 73.31 112.127 -160.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -101.09 125.35 47.7 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 114.154 -1.384 . . . . 74.44 108.537 170.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.29 140.13 16.85 Favored 'Isoleucine or valine' 0 C--O 1.244 0.815 0 N-CA-C 107.63 -1.248 . . . . 72.33 107.63 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.38 175.99 9.75 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.609 1.163 . . . . 60.32 109.373 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -148.89 21.8 0.99 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 122.892 0.477 . . . . 73.04 111.414 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -128.13 -50.56 1.32 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.335 0.654 . . . . 75.54 110.045 -177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.86 -61.54 1.74 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.014 0.926 . . . . 75.33 109.71 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.558 1.264 0 C-N-CA 123.616 0.766 . . . . 72.21 111.85 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.485 1.314 0 N-CA-C 109.869 -0.419 . . . . 74.43 109.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.46 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 7.4 m -68.37 -44.04 34.37 Favored Pre-proline 0 CA--C 1.568 1.639 0 C-N-CA 123.396 0.678 . . . . 73.32 110.516 174.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' A' ' 2' ' ' SER . 6.1 Cg_exo -78.26 -175.38 2.69 Favored 'Trans proline' 0 C--N 1.4 3.284 0 C-N-CA 122.53 2.153 . . . . 72.43 111.356 163.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.3 tt -56.45 130.59 76.28 Favored Pre-proline 0 CA--C 1.575 1.937 0 C-N-CA 123.476 0.711 . . . . 72.14 110.048 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.91 126.75 10.23 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.578 2.185 . . . . 74.34 111.446 -174.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -166.68 -55.05 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 124.378 1.071 . . . . 72.54 109.941 -170.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -84.82 26.18 0.66 Allowed 'Trans proline' 0 C--N 1.399 3.218 0 C-N-CA 122.343 2.028 . . . . 73.13 111.863 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.18 -26.32 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.418 1.487 . . . . 72.23 110.914 177.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -86.3 33.29 0.62 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.167 1.387 . . . . 71.14 110.673 173.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.404 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 1.2 m-20 40.94 -153.38 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.935 1.294 . . . . 63.53 113.83 -174.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -103.33 152.75 21.19 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 106.06 -1.83 . . . . 75.51 106.06 166.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -43.3 -45.44 5.92 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 114.901 1.445 . . . . 63.44 114.901 -168.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.84 -48.37 71.86 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.853 0.461 . . . . 64.34 111.86 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . . . -67.26 -34.79 78.16 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.69 0.796 . . . . 62.34 111.744 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.486 ' O ' HG13 ' A' ' 19' ' ' ILE . 41.8 t90 -67.0 -44.97 78.99 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.772 1.229 . . . . 74.43 109.367 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -60.56 -39.64 88.72 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.847 -1.069 . . . . 75.34 110.546 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.02 -37.5 86.04 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.57 0.748 . . . . 74.52 112.093 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 2.7 mmp_? -61.42 -45.31 94.84 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.769 0.428 . . . . 72.32 110.752 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.517 HG21 HD11 ' A' ' 54' ' ' ILE . 58.0 mt -64.54 -48.1 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 123.965 0.791 . . . . 74.14 110.59 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.42 90.31 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.475 0.71 . . . . 71.21 111.433 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -46.81 74.37 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.631 0.772 . . . . 73.15 111.38 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -65.87 -35.63 81.19 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.006 0.922 . . . . 71.24 111.029 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -72.05 -44.04 63.98 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.466 1.106 . . . . 72.13 109.178 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.89 94.63 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.76 0.663 . . . . 63.55 110.584 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.78 -56.44 21.76 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 124.347 1.029 . . . . 72.53 110.414 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -66.06 -15.97 63.52 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.607 0.763 . . . . 74.33 112.711 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.3 -52.65 6.37 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.11 0.564 . . . . 63.15 110.783 175.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.87 -18.11 41.42 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 112.997 0.74 . . . . 74.3 112.997 -173.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.53 -52.19 66.41 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.07 0.548 . . . . 75.14 111.587 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.548 HD23 HD23 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.3 -9.15 58.42 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.167 -0.47 . . . . 74.42 112.03 -174.707 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.7 -49.55 6.79 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.428 0.691 . . . . 75.04 111.02 175.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.4 p -94.73 -57.28 2.51 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.845 0.858 . . . . 74.21 112.134 -171.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -64.79 127.49 31.76 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.622 0.769 . . . . 71.13 112.167 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -79.68 -6.87 58.06 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.846 1.259 . . . . 72.45 111.334 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.24 -5.2 34.22 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.848 0.859 . . . . 63.12 112.245 170.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.497 ' HA ' ' HZ ' ' A' ' 165' ' ' PHE . 43.5 t -156.95 80.72 3.46 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 107.925 -1.139 . . . . 73.5 107.925 172.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.03 126.35 5.02 Favored 'Trans proline' 0 C--N 1.366 1.5 0 C-N-CA 121.794 1.662 . . . . 73.22 112.017 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.472 HD11 HD21 ' A' ' 30' ' ' LEU . 44.0 mt -68.9 135.36 89.81 Favored Pre-proline 0 CA--C 1.559 1.301 0 N-CA-C 108.454 -0.943 . . . . 65.51 108.454 170.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -46.39 131.42 15.09 Favored 'Trans proline' 0 C--N 1.385 2.47 0 C-N-CA 123.632 2.888 . . . . 62.52 112.52 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -53.38 -30.41 52.64 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 124.822 3.681 . . . . 73.03 116.38 -162.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.52 -41.56 65.76 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.042 0.448 . . . . 53.55 110.899 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.49 -38.19 62.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.189 0.996 . . . . 64.51 109.13 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -71.96 -22.93 61.38 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.899 -1.046 . . . . 74.51 110.646 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.73 -39.81 90.12 Favored Glycine 0 C--N 1.346 1.114 0 N-CA-C 111.625 -0.59 . . . . 72.22 111.625 172.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.19 11.64 13.58 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.992 0.917 . . . . 74.25 113.043 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -80.33 131.35 35.62 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.962 0.41 . . . . 74.42 110.805 -173.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -127.32 -39.0 1.91 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.54 1.136 . . . . 74.14 108.932 166.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.22 146.34 4.64 Favored Glycine 0 C--N 1.343 0.947 0 CA-C-O 119.347 -0.696 . . . . 53.13 111.536 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.548 HD23 HD23 ' A' ' 30' ' ' LEU . 2.4 mm? -70.79 146.23 49.88 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.99 0.516 . . . . 74.01 110.236 -175.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -72.48 115.87 12.26 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.042 -0.725 . . . . 74.14 109.042 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -91.47 138.9 31.21 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.511 -0.768 . . . . 71.04 109.848 -172.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -86.25 158.36 19.73 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.016 0.926 . . . . 74.05 109.742 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.81 162.83 28.48 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.377 0.671 . . . . 75.41 110.841 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.517 HD11 HG21 ' A' ' 19' ' ' ILE . 23.3 mm -86.38 113.39 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.88 -0.785 . . . . 75.31 108.88 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -93.18 95.05 9.15 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 123.692 0.797 . . . . 65.24 109.561 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.87 -9.96 59.65 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.136 -0.938 . . . . 71.01 111.009 173.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.8 m -66.69 -51.73 52.79 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.741 0.816 . . . . 73.34 111.17 172.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -92.72 31.46 1.37 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.918 0.887 . . . . 73.51 113.276 -171.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 6.2 ptm180 -99.92 100.2 11.08 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.483 0.659 . . . . 74.44 109.308 173.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.4 m -101.46 173.47 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 121.739 -0.601 . . . . 72.2 110.003 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.94 120.93 36.9 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.026 -1.101 . . . . 65.02 108.026 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.59 141.23 38.2 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.629 0.772 . . . . 72.42 109.624 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -74.25 113.08 11.04 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.119 -0.697 . . . . 72.11 109.119 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -74.15 119.92 19.02 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 123.591 0.756 . . . . 75.13 109.653 -177.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -117.0 114.52 39.07 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 107.087 -1.449 . . . . 73.13 107.087 169.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -70.03 157.29 60.36 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 122.021 1.814 . . . . 74.3 110.811 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.04 110.38 2.13 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.118 -0.697 . . . . 75.03 109.118 170.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -51.28 -36.35 41.87 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.493 1.117 . . . . 74.53 111.436 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -156.69 104.62 1.97 Allowed Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 107.906 -1.146 . . . . 65.44 107.906 169.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.33 141.59 93.18 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 123.396 2.731 . . . . 70.31 114.099 -174.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -136.0 161.8 34.65 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.966 1.307 . . . . 75.32 110.074 176.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.47 135.86 37.77 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.634 0.774 . . . . 72.34 110.279 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 25.1 m -129.12 150.91 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.746 0.818 . . . . 74.54 109.242 -178.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -102.6 109.6 21.27 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.84 -0.8 . . . . 74.11 108.84 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -93.81 122.22 36.06 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 107.344 -1.354 . . . . 73.52 107.344 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.48 ' HA ' ' HB3' ' A' ' 82' ' ' PRO . 36.5 mt-10 -66.28 147.94 52.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.87 0.468 . . . . 73.44 109.8 -176.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.427 ' HB ' ' HB2' ' A' ' 166' ' ' SER . 52.7 p -121.45 156.2 33.24 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.113 0.482 . . . . 74.23 110.711 -174.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.8 p -77.25 -39.11 49.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.644 1.178 . . . . 75.14 111.139 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -83.29 -16.91 44.42 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.17 0.988 . . . . 74.35 112.207 -170.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.3 -125.7 1.35 Allowed Glycine 0 C--N 1.359 1.808 0 CA-C-O 118.904 -0.942 . . . . 72.01 113.963 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.39 146.11 44.3 Favored 'Trans proline' 0 C--N 1.382 2.338 0 C-N-CA 123.705 2.937 . . . . 75.3 113.193 -175.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.48 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . 28.8 Cg_endo -61.0 160.68 24.89 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 123.044 2.496 . . . . 75.11 113.208 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.68 131.02 55.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.165 0.986 . . . . 72.25 110.265 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 4.5 mp0 -82.3 124.22 29.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.434 0.694 . . . . 75.22 109.533 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.562 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 46.2 m-85 -127.28 140.68 52.05 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.705 -1.22 . . . . 64.22 107.705 175.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.3 m -91.9 135.56 33.84 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 108.844 -0.798 . . . . 75.14 108.844 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -72.95 112.09 8.66 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.537 -0.542 . . . . 75.04 109.537 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 106' ' ' ARG . . . -82.96 -44.34 15.42 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 123.934 0.893 . . . . 74.45 110.737 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -161.48 175.96 11.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 114.79 -1.095 . . . . 73.11 110.439 -174.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 36.4 t -136.64 129.22 45.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 125.542 1.537 . . . . 74.05 107.197 170.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.61 121.56 41.38 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.813 0.845 . . . . 75.15 109.662 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.21 124.09 7.16 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 111.303 -0.719 . . . . 44.12 111.303 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -152.15 175.0 13.04 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 117.257 0.528 . . . . 71.14 109.753 -174.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -110.31 152.89 25.63 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 107.99 -1.115 . . . . 74.41 107.99 171.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.469 HD12 HG11 ' A' ' 176' ' ' VAL . 1.6 tt -160.21 130.35 5.37 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 106.789 -1.56 . . . . 74.33 106.789 -175.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.99 -103.63 1.5 Allowed Glycine 0 C--N 1.347 1.167 0 N-CA-C 109.725 -1.35 . . . . 73.22 109.725 -173.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -136.62 16.75 3.12 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.902 0.881 . . . . 72.41 109.283 169.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.6 m -128.8 147.09 50.77 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.131 0.572 . . . . 74.3 111.405 -170.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -86.04 136.68 33.14 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.451 -0.795 . . . . 74.12 109.369 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -140.59 149.49 42.43 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 121.521 0.677 . . . . 74.2 110.13 173.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.87 125.16 46.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 113.892 -1.504 . . . . 73.24 107.954 175.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 66.1 mt -109.39 132.96 53.64 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.52 -0.918 . . . . 74.44 108.52 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.5 m -85.59 129.78 34.74 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 109.725 -0.472 . . . . 71.43 109.725 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.08 124.94 44.45 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.985 1.314 . . . . 63.01 108.802 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.562 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 55.6 m-85 -102.22 168.56 9.28 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.925 0.89 . . . . 75.41 111.326 -176.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.519 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 49.7 ttm-85 -120.48 113.79 20.83 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.882 1.273 . . . . 74.24 107.692 -170.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.549 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 60.4 t -92.46 154.51 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.722 1.209 . . . . 75.41 109.324 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.98 101.65 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 121.752 0.787 . . . . 74.34 111.3 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 70.57 29.83 69.36 Favored Glycine 0 CA--C 1.538 1.501 0 CA-C-N 115.005 -0.998 . . . . 41.24 113.706 174.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.549 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -67.28 172.93 4.28 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.862 0.865 . . . . 72.4 112.233 -172.745 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.3 m -118.36 -36.35 3.56 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.706 0.802 . . . . 65.12 109.2 167.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.1 m -111.85 142.91 43.63 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.09 -0.959 . . . . 73.22 110.075 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.11 148.29 28.61 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.46 1.104 . . . . 61.34 109.34 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -100.29 114.69 28.36 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.796 0.838 . . . . 75.42 109.842 -172.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 88.1 t -110.23 94.8 19.35 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 109.211 -0.662 . . . . 71.43 109.211 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -84.96 111.58 1.41 Allowed 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.24 1.96 . . . . 74.2 109.547 170.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.506 ' HA ' ' HB3' ' A' ' 174' ' ' ASN . 16.7 p90 -129.65 176.15 8.23 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.188 0.995 . . . . 74.11 109.281 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.53 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.2 p -135.73 161.78 34.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.181 0.593 . . . . 75.21 109.992 175.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.12 -178.77 4.78 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.251 -1.341 . . . . 73.25 109.536 -169.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.74 -33.72 66.58 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 119.231 -0.414 . . . . 70.01 110.772 165.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 54.1 p -60.73 -46.11 91.66 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.166 0.986 . . . . 72.12 111.141 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.531 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 66.7 p -64.31 -45.18 89.06 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.786 -1.097 . . . . 74.12 110.15 177.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.2 -30.2 70.61 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.229 1.012 . . . . 70.2 112.058 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -78.07 -1.52 32.76 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.926 0.89 . . . . 71.31 111.748 174.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.6 73.44 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 123.429 0.538 . . . . 62.44 114.203 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -84.88 -29.12 25.49 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 121.525 0.678 . . . . 73.14 110.315 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.718 ' HA ' ' HA ' ' A' ' 186' ' ' VAL . 43.9 p -130.87 173.55 10.85 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 125.633 1.573 . . . . 61.44 109.403 177.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.548 ' HA ' ' HB2' ' A' ' 187' ' ' ASP . 26.1 t80 -64.28 104.32 0.74 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.006 0.523 . . . . 73.34 112.042 -166.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.531 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 15.5 pt-20 -63.94 -27.87 69.44 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.467 1.107 . . . . 74.45 113.343 -169.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -82.19 -5.95 58.85 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.476 0.711 . . . . 54.14 112.698 -172.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.63 150.36 5.22 Favored Glycine 0 C--N 1.352 1.448 0 C-N-CA 121.75 -0.262 . . . . 64.35 113.346 173.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -128.87 138.81 52.24 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.42 -1.326 . . . . 75.21 107.42 172.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.09 155.36 17.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.7 0.8 . . . . 75.44 110.729 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.05 131.82 39.28 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 107.408 -1.33 . . . . 75.44 107.408 168.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -92.77 112.81 24.89 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 108.012 -1.107 . . . . 75.45 108.012 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.0 t -116.36 112.76 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.052 -0.722 . . . . 74.25 109.052 -173.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -85.02 125.28 70.91 Favored Pre-proline 0 CA--C 1.543 0.678 0 N-CA-C 108.4 -0.963 . . . . 60.21 108.4 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -60.33 -33.55 94.33 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.941 2.427 . . . . 70.04 112.588 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 48.86 40.0 15.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.778 1.231 . . . . 71.32 112.818 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.93 37.55 53.42 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 115.107 -0.951 . . . . 75.54 114.842 -176.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -81.19 156.52 25.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.994 0.517 . . . . 73.35 111.244 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -121.82 175.45 6.27 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.758 1.223 . . . . 73.24 109.587 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -55.13 112.58 3.0 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 124.263 0.977 . . . . 71.12 113.73 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.03 0.59 58.62 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-O 119.504 -0.609 . . . . 64.43 114.108 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -79.55 -175.67 4.9 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 108.132 -1.062 . . . . 71.14 108.132 164.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -139.74 155.86 47.1 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.926 0.87 . . . . 73.42 111.955 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.8 m -132.16 162.42 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 125.684 1.594 . . . . 75.45 107.71 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.55 121.35 28.96 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 122.586 0.355 . . . . 70.04 110.359 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.3 mt -102.97 83.73 2.27 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 107.971 -1.122 . . . . 73.43 107.971 168.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.531 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 7.5 m-20 -79.42 99.1 7.04 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.487 -1.301 . . . . 73.35 107.487 174.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -66.06 -16.8 64.24 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 123.683 0.793 . . . . 74.31 112.736 -176.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -56.01 -31.45 63.09 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.791 0.837 . . . . 73.41 110.989 170.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 150' ' ' ASP . 3.5 mm? -92.16 19.9 6.46 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.377 1.071 . . . . 73.43 111.628 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.85 107.36 1.8 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 109.156 -0.683 . . . . 65.1 109.156 165.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -105.74 132.11 52.26 Favored 'General case' 0 C--O 1.212 -0.906 0 N-CA-C 108.206 -1.035 . . . . 75.01 108.206 -178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 128' ' ' TYR . 13.4 m120 -97.67 146.68 31.84 Favored Pre-proline 0 N--CA 1.481 1.1 0 N-CA-C 108.249 -1.019 . . . . 75.31 108.249 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . 0.543 ' HG2' ' SG ' ' A' ' 159' ' ' CYS . 27.2 Cg_endo -59.08 168.0 5.11 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 123.135 2.557 . . . . 71.25 113.173 -176.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.415 ' CD1' HD13 ' A' ' 30' ' ' LEU . 31.9 m-85 -66.7 -7.51 21.36 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.489 0.922 . . . . 73.42 113.489 -174.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' CYS . . . . . 0.543 ' SG ' ' HG2' ' A' ' 157' ' ' PRO . 10.4 p -72.37 -29.71 64.03 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.597 0.759 . . . . 70.44 110.918 172.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.24 61.05 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.553 0.741 . . . . 73.22 110.651 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -86.42 2.28 48.27 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.412 1.085 . . . . 74.2 110.88 174.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 101.54 -7.69 56.14 Favored Glycine 0 C--N 1.355 1.63 0 N-CA-C 114.645 0.618 . . . . 44.25 114.645 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -74.81 159.58 52.23 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-N 117.646 0.723 . . . . 75.13 113.283 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 49.5 p -83.98 70.28 10.43 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.457 0.646 . . . . 73.14 110.788 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.497 ' HZ ' ' HA ' ' A' ' 36' ' ' SER . 83.0 m-85 -123.47 164.48 18.84 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.468 0.707 . . . . 74.1 112.192 -175.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.427 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 32.7 p -99.91 130.39 46.09 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.515 -1.22 . . . . 74.51 110.586 -175.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 77' ' ' THR . 50.9 t -97.06 131.78 43.51 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.211 -0.663 . . . . 74.22 109.211 173.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.29 101.34 4.66 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.253 -1.017 . . . . 75.35 108.253 170.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.33 134.07 93.21 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 123.509 0.724 . . . . 70.1 110.119 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.53 ' HG3' HG23 ' A' ' 118' ' ' THR . 58.0 Cg_endo -68.23 145.06 65.01 Favored 'Trans proline' 0 C--N 1.369 1.637 0 C-N-CA 122.865 2.377 . . . . 73.42 113.066 -171.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -52.55 151.19 19.31 Favored 'Trans proline' 0 C--N 1.372 1.788 0 C-N-CA 122.95 2.434 . . . . 74.32 112.04 163.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -41.02 -45.24 2.58 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.313 1.227 . . . . 73.44 114.313 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -86.5 0.59 53.93 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.591 0.756 . . . . 75.55 111.915 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . 3.0 m-20 -92.62 -8.31 44.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.089 -0.505 . . . . 71.32 110.698 174.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -80.68 103.02 10.25 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 108.313 -0.995 . . . . 75.52 108.313 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 95' ' ' LEU . 47.2 t -85.45 124.37 71.65 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 123.67 0.788 . . . . 73.43 109.295 -177.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.62 50.77 3.52 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 123.92 3.08 . . . . 75.1 112.022 175.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -146.69 149.47 33.5 Favored 'General case' 0 C--O 1.247 0.966 0 C-N-CA 123.592 0.757 . . . . 64.33 109.71 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -96.97 100.35 11.86 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.291 -0.868 . . . . 74.33 110.241 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.5 mp -102.53 91.14 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 106.093 -1.818 . . . . 64.45 106.093 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 12.5 p -80.99 73.13 8.04 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.368 -0.833 . . . . 74.1 108.93 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -116.75 162.01 18.36 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 124.947 1.299 . . . . 72.21 108.159 177.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -70.71 103.05 1.12 Allowed Glycine 0 C--N 1.346 1.09 0 CA-C-O 121.316 0.398 . . . . 73.35 112.693 -170.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -132.85 157.98 43.67 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 125.672 1.589 . . . . 62.22 108.36 173.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . 0.554 ' HD3' ' H ' ' A' ' 186' ' ' VAL . 0.0 OUTLIER -68.06 173.41 4.64 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-O 121.407 0.622 . . . . 75.11 109.867 175.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.718 ' HA ' ' HA ' ' A' ' 127' ' ' THR . 33.6 m -124.34 157.85 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.256 0.622 . . . . 75.32 110.84 -163.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . 0.548 ' HB2' ' HA ' ' A' ' 128' ' ' TYR . 10.1 t70 -85.99 97.27 10.17 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.991 -0.744 . . . . 70.01 108.991 -179.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -71.74 17.37 0.09 Allowed 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 113.844 1.053 . . . . 75.4 113.844 -172.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -116.05 -35.41 4.41 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.852 0.861 . . . . 72.51 109.888 170.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.31 -54.75 4.04 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.185 0.994 . . . . 73.41 112.019 -175.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 187' ' ' ASP . 1.3 pp20? . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 118.564 -0.731 . . . . 72.45 112.222 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.9 mt . . . . . 0 CA--C 1.543 0.684 0 N-CA-C 109.588 -0.523 . . . . 72.12 109.588 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HG2' ' HB2' ' A' ' 141' ' ' ALA . 8.1 Cg_exo -56.96 125.84 20.3 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 123.085 2.523 . . . . 75.45 111.208 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.454 ' H ' ' HD2' ' A' ' 7' ' ' PRO . 61.8 mt -164.41 -47.75 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 125.917 1.687 . . . . 72.24 108.395 -168.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.454 ' HD2' ' H ' ' A' ' 6' ' ' LEU . 89.4 Cg_endo -79.82 30.42 0.49 Allowed 'Trans proline' 0 C--N 1.397 3.124 0 C-N-CA 122.168 1.912 . . . . 74.3 112.16 168.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.49 HG21 ' H ' ' A' ' 148' ' ' ALA . 25.3 m -61.53 -29.26 45.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.354 1.061 . . . . 75.03 110.77 168.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -84.17 25.92 0.8 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 124.109 0.964 . . . . 73.42 111.526 171.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 26.7 -104.47 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.511 1.524 . . . . 54.54 112.921 -164.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 14' ' ' ALA . 7.6 t -120.38 155.54 33.21 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 105.332 -2.099 . . . . 73.03 105.332 163.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -56.28 -25.79 49.56 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 119.276 0.944 . . . . 75.02 113.187 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.64 -51.26 69.2 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.574 0.75 . . . . 72.44 109.826 172.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . . . -79.42 -18.48 52.13 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.034 -0.985 . . . . 64.1 112.325 -177.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.471 ' O ' HG13 ' A' ' 19' ' ' ILE . 25.8 t90 -75.14 -48.91 21.39 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.581 -0.896 . . . . 74.24 108.581 174.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -60.23 -39.45 86.72 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.598 -0.728 . . . . 70.15 110.135 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' A' ' 14' ' ' ALA . . . -64.54 -39.18 93.3 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.548 0.739 . . . . 72.33 112.181 174.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.55 -54.07 46.14 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.159 0.584 . . . . 75.04 109.491 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.551 HG12 HD11 ' A' ' 153' ' ' LEU . 64.6 mt -63.93 -46.17 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.204 1.002 . . . . 62.41 111.688 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.87 95.68 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.392 0.677 . . . . 64.33 110.761 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.16 -33.17 69.78 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.256 -0.429 . . . . 62.24 111.96 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.25 -36.69 58.36 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.218 0.607 . . . . 65.1 109.893 -175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.478 HH11 ' HB2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -78.37 -31.26 48.38 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.026 -0.533 . . . . 74.34 109.972 176.532 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.0 82.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.961 0.504 . . . . 42.31 110.499 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.73 -54.86 36.85 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.864 -1.062 . . . . 73.02 110.377 171.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -66.45 -15.42 63.32 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.479 0.712 . . . . 75.23 112.22 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.623 ' HA ' HD23 ' A' ' 49' ' ' LEU . 24.4 t70 -80.91 -51.37 8.64 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.179 0.592 . . . . 74.04 111.018 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -83.81 -25.86 30.04 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 113.376 0.88 . . . . 72.31 113.376 -175.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.81 -42.4 89.05 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.368 0.604 . . . . 74.22 112.059 -170.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.628 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -92.4 -13.08 30.62 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.249 0.833 . . . . 61.2 113.249 -178.843 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.7 -44.81 8.79 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.354 0.661 . . . . 71.45 111.331 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.0 p -99.08 -57.86 2.07 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.338 1.055 . . . . 53.34 111.024 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -70.94 141.06 51.1 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.604 0.762 . . . . 71.25 111.302 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.9 -10.94 58.58 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.243 1.017 . . . . 65.13 112.405 -171.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -65.87 -24.88 66.96 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.013 0.925 . . . . 74.23 112.444 -173.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -146.38 79.52 10.54 Favored Pre-proline 0 C--O 1.212 -0.899 0 N-CA-C 108.429 -0.952 . . . . 74.42 108.429 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.21 127.45 8.36 Favored 'Trans proline' 0 C--N 1.362 1.264 0 C-N-CA 122.078 1.852 . . . . 74.24 111.811 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.628 HG13 ' HB2' ' A' ' 30' ' ' LEU . 59.6 mt -68.93 135.0 89.75 Favored Pre-proline 0 CA--C 1.554 1.127 0 N-CA-C 107.686 -1.228 . . . . 63.54 107.686 168.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -45.79 129.93 12.26 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 123.71 2.94 . . . . 72.12 112.154 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -48.01 -30.42 13.9 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 124.312 3.341 . . . . 62.25 114.768 -168.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.47 -50.25 68.19 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.76 0.424 . . . . 72.02 111.541 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.81 -35.82 50.94 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.663 0.785 . . . . 64.24 110.364 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -63.86 -32.21 73.65 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.059 0.944 . . . . 74.44 110.982 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.74 -36.2 86.89 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 116.228 -0.442 . . . . 32.31 112.435 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.4 14.52 11.05 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.669 0.788 . . . . 74.04 112.399 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -68.0 110.18 3.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.064 0.546 . . . . 74.11 110.682 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -102.72 -33.33 9.45 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.657 0.783 . . . . 74.4 109.881 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.27 144.28 3.9 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-O 119.436 -0.647 . . . . 62.32 111.971 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' A' ' 27' ' ' ASP . 3.7 mm? -66.62 172.24 4.37 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.78 0.832 . . . . 63.11 112.688 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -75.12 134.45 41.28 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.668 -1.151 . . . . 75.42 110.794 -173.304 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.478 ' HB2' HH11 ' A' ' 23' ' ' ARG . 89.9 t80 -124.31 119.64 29.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.37 -0.974 . . . . 70.03 108.37 173.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.401 ' HE1' ' HB3' ' A' ' 50' ' ' ARG . 1.4 m-85 -99.58 154.81 17.97 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 107.807 -1.183 . . . . 62.33 107.807 174.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -67.46 142.39 56.65 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.048 -0.723 . . . . 73.44 109.048 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.81 111.36 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.278 0.986 . . . . 74.3 109.569 -172.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -100.68 105.03 16.35 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 109.511 -0.551 . . . . 64.34 109.511 -166.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.26 57.85 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.036 -0.983 . . . . 71.34 111.401 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.4 t -74.18 -33.88 63.61 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.197 0.599 . . . . 64.01 110.705 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.467 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 30.2 m-85 -88.41 6.5 37.19 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.308 0.643 . . . . 74.02 111.107 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.543 ' HG3' ' HB3' ' A' ' 150' ' ' ASP . 48.0 ttp180 -98.6 93.16 5.97 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.899 -1.519 . . . . 72.14 106.899 169.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.5 m -99.3 155.06 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 108.877 -0.786 . . . . 63.51 108.877 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.14 118.89 31.74 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.137 -1.06 . . . . 73.05 108.137 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -108.41 131.31 54.9 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.621 0.768 . . . . 63.04 110.077 -172.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.01 107.34 5.31 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.49 -0.93 . . . . 64.11 108.49 -177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -76.95 126.2 30.57 Favored 'General case' 0 C--O 1.249 1.074 0 C-N-CA 123.496 0.718 . . . . 74.35 109.747 -173.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -131.48 106.8 14.46 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 108.165 -1.05 . . . . 61.53 108.165 171.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.35 151.25 65.58 Favored 'Trans proline' 0 C--N 1.366 1.453 0 C-N-CA 122.052 1.835 . . . . 75.54 110.524 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.88 97.26 1.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.375 -0.972 . . . . 53.04 108.375 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -54.48 -28.94 48.23 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.265 1.426 . . . . 65.3 111.541 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -125.52 83.91 61.0 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.509 1.124 . . . . 74.13 109.081 171.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 127.08 9.29 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.812 2.342 . . . . 74.11 111.982 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.551 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 13.4 pt-20 -136.92 157.74 46.05 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.867 0.365 . . . . 71.21 110.618 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.29 115.18 21.23 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.901 0.88 . . . . 71.52 109.937 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 15.1 m -106.41 155.58 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 108.523 -0.917 . . . . 74.42 108.523 175.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -97.93 116.71 30.69 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.502 -0.925 . . . . 74.41 108.502 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.408 HD23 ' HD1' ' A' ' 85' ' ' TYR . 2.7 mm? -101.29 134.06 44.93 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 107.348 -1.353 . . . . 61.23 107.348 171.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB2' HD12 ' A' ' 169' ' ' LEU . 38.0 mt-10 -64.72 157.88 26.21 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 109.934 -0.395 . . . . 64.0 109.934 178.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 68.0 p -139.3 150.79 45.84 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.012 -0.736 . . . . 71.4 109.012 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.438 HG23 ' SG ' ' A' ' 167' ' ' CYS . 33.9 p -77.76 -18.04 56.9 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.0 0.52 . . . . 40.32 109.845 172.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -71.9 -34.06 68.83 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.549 1.14 . . . . 55.41 112.528 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.04 -121.36 1.15 Allowed Glycine 0 C--N 1.342 0.877 0 CA-C-O 118.296 -1.28 . . . . 72.53 111.482 -175.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.09 144.25 80.64 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.037 2.491 . . . . 53.24 112.917 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -64.63 149.98 88.95 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.412 2.074 . . . . 70.44 112.526 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.65 120.98 39.01 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.864 0.866 . . . . 63.5 109.698 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 10.0 pt-20 -79.99 127.03 31.79 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.132 0.492 . . . . 64.15 110.568 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.58 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.9 m-85 -127.69 138.86 52.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.46 -0.941 . . . . 65.32 108.46 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.9 m -84.59 137.36 33.34 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.255 -0.646 . . . . 42.12 109.255 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.551 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 19.3 mtm105 -67.68 108.46 2.93 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.48 -0.933 . . . . 55.23 108.48 175.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.44 -48.16 7.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.75 0.42 . . . . 71.22 110.656 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.46 172.34 18.39 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.62 -0.718 . . . . 42.14 110.903 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.663 HG12 HG22 ' A' ' 101' ' ' THR . 23.5 t -136.49 125.81 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 125.229 1.412 . . . . 31.21 107.364 171.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.606 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 2.2 mm? -103.04 121.03 41.74 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.958 0.903 . . . . 70.45 110.989 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.62 113.8 4.84 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 111.242 -0.743 . . . . 44.1 111.242 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.643 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 27.8 p90 -141.43 174.28 10.7 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.124 -0.695 . . . . 74.11 109.124 -172.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 5.3 p-10 -131.25 142.8 50.2 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.19 -0.67 . . . . 70.53 109.19 175.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.9 tp -159.47 140.71 12.8 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.611 0.764 . . . . 74.52 109.197 -173.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.94 -111.71 4.41 Favored Glycine 0 C--N 1.349 1.297 0 C-N-CA 121.659 -0.305 . . . . 71.22 112.616 172.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -97.42 -21.22 17.29 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.279 0.632 . . . . 73.21 112.299 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m -135.84 150.41 49.4 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 114.155 1.169 . . . . 70.44 114.155 -163.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 26.8 t60 -86.15 130.76 34.42 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.606 -1.179 . . . . 72.13 108.066 165.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -136.59 162.04 34.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.197 0.599 . . . . 74.35 110.238 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.663 HG22 HG12 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -125.01 120.08 30.54 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 106.263 -1.754 . . . . 73.3 106.263 -177.625 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.643 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 10.3 tp -116.58 136.83 52.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.545 0.738 . . . . 61.4 109.36 -163.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.1 m -88.48 125.03 34.56 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 120.824 0.345 . . . . 71.33 110.994 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.419 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -104.02 126.4 51.11 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 124.462 1.105 . . . . 52.11 109.006 176.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.58 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 40.1 m-85 -106.09 162.63 13.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.377 0.608 . . . . 62.21 111.241 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -96.45 133.54 40.74 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.249 1.419 . . . . 73.13 107.749 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 40.4 t -105.05 123.5 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.089 -1.078 . . . . 75.33 108.089 165.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.54 116.18 1.8 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.311 1.045 . . . . 64.44 111.84 176.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.63 -18.52 54.99 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 115.397 -0.82 . . . . 72.31 112.962 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.622 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 12.5 tp10 -97.06 126.42 42.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.757 0.823 . . . . 64.54 109.676 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.6 m -76.16 -22.77 55.01 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.403 1.081 . . . . 52.4 111.646 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.9 m -88.9 136.75 32.85 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.273 0.629 . . . . 75.03 109.435 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 38.0 mt -80.58 142.29 34.22 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.987 0.915 . . . . 72.33 109.634 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.35 108.01 19.51 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.574 -1.269 . . . . 72.31 107.574 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 104' ' ' ALA . 62.2 t -101.11 102.69 21.41 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 109.108 -0.701 . . . . 73.11 109.108 175.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.556 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 28.4 Cg_endo -85.16 120.93 2.27 Favored 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.899 2.399 . . . . 74.14 109.592 169.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -147.51 166.51 27.07 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.917 0.389 . . . . 73.54 111.127 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.5 p -129.15 165.94 20.31 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.11 0.964 . . . . 74.41 108.808 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -158.27 -165.77 1.78 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.022 0.929 . . . . 73.23 109.411 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.72 -26.24 59.67 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.804 0.668 . . . . 65.35 112.804 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.497 ' HB ' ' NH2' ' A' ' 132' ' ' ARG . 4.5 m -80.0 -29.26 39.4 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.81 0.444 . . . . 63.53 110.935 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.51 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 35.6 p -75.96 -38.6 57.36 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.613 0.365 . . . . 60.54 110.077 172.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -59.76 -34.23 72.71 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.353 0.661 . . . . 64.11 110.979 170.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -75.41 -12.8 60.33 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.408 1.083 . . . . 73.13 110.97 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.84 -6.73 58.02 Favored Glycine 0 C--N 1.35 1.316 0 N-CA-C 115.958 1.143 . . . . 75.24 115.958 174.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -92.54 1.71 57.1 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 118.2 1.0 . . . . 73.31 112.273 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.2 p -127.11 164.38 21.73 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 106.687 -1.597 . . . . 73.42 106.687 155.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 130' ' ' HIS . 19.1 t80 -53.83 98.94 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.323 1.015 . . . . 75.21 111.429 -168.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.51 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 0.0 OUTLIER -62.22 -31.05 71.54 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.955 1.302 . . . . 63.21 112.425 -168.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 128' ' ' TYR . 53.3 m80 -75.72 -12.38 60.18 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 116.519 -0.31 . . . . 71.1 110.833 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 142.09 152.39 5.7 Favored Glycine 0 C--N 1.356 1.686 0 C-N-CA 122.749 0.214 . . . . 55.31 113.187 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.556 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 56.4 mtt180 -108.46 144.58 35.89 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.795 0.838 . . . . 75.2 108.761 175.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -96.15 140.4 30.92 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.442 -0.577 . . . . 60.21 109.442 166.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.1 tt -123.23 131.73 53.78 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.874 -1.158 . . . . 65.11 107.874 171.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -94.02 100.11 12.3 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.261 -1.014 . . . . 73.13 108.261 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 56.6 t -107.34 122.65 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 122.933 0.493 . . . . 61.33 109.781 -173.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.94 118.89 74.33 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 109.262 -0.644 . . . . 44.13 109.262 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -67.9 -32.87 28.02 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.379 2.053 . . . . 73.11 112.09 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 54.05 33.47 17.71 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.344 1.058 . . . . 72.25 112.106 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.39 39.58 52.32 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 115.44 -0.8 . . . . 63.23 114.76 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.448 ' HB2' ' HG2' ' A' ' 5' ' ' PRO . . . -76.08 167.63 21.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.796 0.438 . . . . 72.23 111.416 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.87 173.35 11.63 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.762 -0.829 . . . . 75.25 108.762 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -55.93 109.59 1.53 Allowed Glycine 0 C--N 1.352 1.432 0 O-C-N 123.685 0.616 . . . . 52.02 113.457 -175.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.84 -5.45 27.52 Favored Glycine 0 N--CA 1.471 1.008 0 CA-C-O 119.557 -0.579 . . . . 63.35 113.779 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -87.37 -171.44 3.47 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.946 -0.761 . . . . 51.23 108.946 171.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -142.85 158.23 43.83 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.23 0.538 . . . . 61.31 111.928 173.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.3 m -139.69 154.09 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.773 1.229 . . . . 73.22 108.536 176.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.49 ' H ' HG21 ' A' ' 8' ' ' VAL . . . -79.06 118.93 21.5 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.573 0.225 . . . . 44.01 110.722 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.7 mt -93.5 86.63 5.28 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 108.002 -1.11 . . . . 61.32 108.002 167.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.543 ' HB3' ' HG3' ' A' ' 59' ' ' ARG . 0.6 OUTLIER -84.91 95.95 9.19 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.059 -0.973 . . . . 53.25 108.89 173.527 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.592 ' HB3' HG21 ' A' ' 180' ' ' ILE . 22.4 m-85 -69.65 -15.91 63.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.346 1.058 . . . . 64.14 111.826 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -56.62 -27.11 57.56 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.25 0.62 . . . . 73.32 110.138 169.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.551 HD11 HG12 ' A' ' 19' ' ' ILE . 2.9 mm? -101.41 17.95 21.36 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.47 1.108 . . . . 75.41 111.815 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -73.28 104.98 4.49 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.727 -1.212 . . . . 60.44 107.727 165.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -98.93 176.13 5.7 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 122.287 1.041 . . . . 73.45 110.928 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -113.24 139.26 22.91 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 113.731 -1.577 . . . . 72.45 109.281 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.58 150.24 4.1 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.934 2.423 . . . . 74.11 113.173 168.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -66.76 -4.32 8.78 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.517 0.727 . . . . 75.02 112.893 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 163' ' ' GLY . 11.3 m -65.74 -29.14 69.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.989 0.916 . . . . 74.14 111.857 172.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.421 ' HB2' ' CD2' ' A' ' 128' ' ' TYR . . . -65.87 -21.85 66.49 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.875 0.87 . . . . 73.14 112.063 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' TYR . . . . . 0.418 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 3.2 m-85 -84.21 -1.84 55.85 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.328 1.051 . . . . 74.23 110.835 -175.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.77 12.53 37.25 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 123.731 0.644 . . . . 31.43 112.734 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -100.11 159.97 19.37 Favored Glycine 0 C--N 1.351 1.393 0 N-CA-C 111.993 -0.443 . . . . 63.05 111.993 176.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 46.8 m -101.39 84.89 2.68 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.781 0.432 . . . . 53.5 110.429 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -113.52 178.32 4.32 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.4 0.68 . . . . 71.31 111.329 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 53.2 p -91.05 105.99 18.21 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.365 0.666 . . . . 71.32 110.931 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' CYS . . . . . 0.438 ' SG ' HG23 ' A' ' 78' ' ' THR . 24.4 p -93.42 116.07 28.61 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.823 -1.177 . . . . 44.33 107.823 174.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -71.54 93.56 1.22 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.5 -0.555 . . . . 63.43 109.5 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 76' ' ' GLU . 42.6 mt -65.42 110.27 4.15 Favored Pre-proline 0 C--O 1.242 0.67 0 C-N-CA 123.767 0.827 . . . . 72.04 108.802 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -74.65 161.25 39.93 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 122.257 1.971 . . . . 53.53 112.205 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.39 155.48 61.9 Favored 'Trans proline' 0 C--N 1.371 1.721 0 C-N-CA 122.159 1.906 . . . . 74.54 110.806 168.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.39 -15.25 47.79 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.761 0.824 . . . . 42.01 113.11 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.05 -15.17 62.02 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.126 0.97 . . . . 72.42 111.2 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -94.18 18.44 10.87 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.136 0.974 . . . . 64.14 111.361 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -94.85 123.26 38.21 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.589 -0.523 . . . . 70.23 109.589 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 177' ' ' PRO . 58.5 t -94.67 129.03 37.55 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 123.5 0.72 . . . . 64.31 109.136 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 176' ' ' VAL . 9.0 Cg_exo -74.25 56.09 3.71 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 124.023 3.149 . . . . 72.45 112.643 173.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.7 152.97 32.34 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.058 0.943 . . . . 72.54 109.222 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.06 122.01 33.34 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.02 -0.733 . . . . 72.45 109.02 170.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' ILE . . . . . 0.592 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -106.21 88.95 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 106.981 -1.489 . . . . 72.11 106.981 175.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 16.9 p -71.23 -26.14 62.79 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.356 -0.838 . . . . 73.43 112.522 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 121.302 0.572 . . . . 71.14 110.312 178.673 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.0 tt . . . . . 0 CA--C 1.566 1.595 0 N-CA-C 107.582 -1.266 . . . . 74.33 107.582 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 19.1 Cg_endo -65.05 125.42 14.63 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 121.366 1.378 . . . . 43.42 111.813 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 171.12 -49.41 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 125.637 1.575 . . . . 75.24 108.485 -169.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.24 21.16 0.62 Allowed 'Trans proline' 0 C--N 1.397 3.126 0 C-N-CA 122.803 2.335 . . . . 74.02 112.613 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.1 m -65.86 -27.31 40.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.451 1.1 . . . . 64.44 109.278 172.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 t -80.57 83.0 6.45 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 115.508 -0.769 . . . . 74.33 109.165 166.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -37.65 153.51 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 125.272 1.429 . . . . 42.11 113.427 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -54.64 139.42 38.67 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.729 0.812 . . . . 73.44 110.37 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -37.73 -47.53 0.99 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.432 1.641 . . . . 70.41 115.432 -165.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.87 -52.51 59.69 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.278 0.631 . . . . 72.35 111.411 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -74.46 -25.0 59.13 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.141 0.576 . . . . 53.14 111.242 -176.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.451 ' O ' HG13 ' A' ' 19' ' ' ILE . 21.0 t90 -64.35 -54.82 27.06 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.799 1.239 . . . . 74.15 109.388 173.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -55.61 -38.56 69.61 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 115.027 -0.988 . . . . 62.43 109.841 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.75 97.42 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.847 -0.597 . . . . 74.54 112.14 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 26.4 mmt180 -59.87 -48.75 80.43 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.639 0.375 . . . . 74.43 110.073 175.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 15' ' ' TRP . 23.7 mt -62.7 -43.53 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 115.64 -0.709 . . . . 74.31 110.643 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.24 89.76 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 114.76 -1.109 . . . . 61.43 110.571 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.96 73.76 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.498 0.719 . . . . 63.21 111.448 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -59.43 -53.62 56.12 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.915 0.886 . . . . 74.21 109.819 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -65.03 -41.57 95.14 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-N 114.834 -1.075 . . . . 73.14 111.111 -178.45 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.97 91.9 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.349 0.522 . . . . 52.13 111.402 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.72 -48.73 80.47 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.802 0.689 . . . . 74.42 110.557 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 40.2 mmtm -72.94 -20.59 61.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.562 -0.29 . . . . 65.04 111.408 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' HA ' HD23 ' A' ' 49' ' ' LEU . 8.1 t70 -70.84 -45.14 65.07 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.547 -0.908 . . . . 62.25 108.547 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.61 -18.55 47.85 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.448 -0.796 . . . . 72.54 111.7 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.52 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 37.7 t80 -60.56 -67.37 0.4 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.895 0.478 . . . . 74.13 110.867 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -71.17 -3.99 23.06 Favored 'General case' 0 CA--C 1.565 1.558 0 N-CA-C 113.264 0.838 . . . . 63.01 113.264 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.45 -47.63 5.6 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.68 0.792 . . . . 72.45 112.302 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 t -138.04 45.9 2.09 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-O 122.553 1.168 . . . . 42.35 110.669 -173.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.52 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 80.6 m80 -149.07 134.71 18.69 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 113.947 -1.479 . . . . 63.41 109.661 173.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.05 -36.2 72.43 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.331 1.452 . . . . 75.11 111.881 -175.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -61.6 -25.58 67.43 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.904 1.076 . . . . 72.14 113.904 -167.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 59.5 m -144.74 106.33 4.61 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 107.217 -1.401 . . . . 53.24 107.217 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -90.87 124.61 0.97 Allowed 'Trans proline' 0 CA--C 1.551 1.357 0 C-N-CA 122.192 1.928 . . . . 50.31 112.797 173.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.525 HG13 ' HB2' ' A' ' 30' ' ' LEU . 40.4 mt -71.33 130.81 87.26 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 107.684 -1.228 . . . . 74.32 107.684 162.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -44.5 131.24 9.52 Favored 'Trans proline' 0 C--N 1.385 2.493 0 C-N-CA 123.52 2.813 . . . . 74.41 113.104 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -53.02 -26.84 33.68 Favored 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 124.083 3.189 . . . . 70.34 115.393 -167.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.62 94.24 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.415 0.286 . . . . 54.33 111.545 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -83.46 -41.7 17.75 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.391 0.676 . . . . 63.33 110.785 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -62.83 -30.6 71.61 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.55 0.74 . . . . 74.51 111.473 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.16 -40.92 99.7 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 116.03 -0.532 . . . . 70.33 112.334 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.12 30.25 3.53 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.231 1.012 . . . . 73.3 111.095 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -74.36 117.15 15.85 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 120.952 0.406 . . . . 74.51 110.773 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -102.52 -37.21 8.09 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 108.617 -0.883 . . . . 63.21 108.617 169.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.33 175.54 33.46 Favored Glycine 0 C--O 1.241 0.584 0 CA-C-N 114.172 -1.376 . . . . 72.45 110.209 -174.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 30' ' ' LEU . 4.0 mm? -83.29 -168.03 1.93 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.38 -0.6 . . . . 71.34 109.38 167.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.21 177.47 4.62 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.902 -0.777 . . . . 70.41 108.902 -172.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -158.71 146.46 17.95 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.434 0.459 . . . . 74.55 111.747 176.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -88.05 167.77 13.39 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 108.251 -1.018 . . . . 75.12 108.251 159.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -76.0 145.03 40.55 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 109.201 -0.666 . . . . 73.11 109.201 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.5 mm -72.39 113.63 9.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 123.25 0.62 . . . . 71.41 109.402 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -123.8 123.04 39.61 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.34 0.656 . . . . 71.35 110.585 -169.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.79 -11.35 59.62 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.464 1.106 . . . . 63.32 113.697 -175.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -79.04 -29.61 43.62 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 118.547 0.612 . . . . 74.4 109.591 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 62.0 m-85 -76.36 0.61 18.9 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.985 0.514 . . . . 75.43 111.283 171.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.514 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 53.1 ttp85 -102.94 87.37 2.91 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.392 -0.966 . . . . 65.12 108.392 175.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.6 m -99.63 156.34 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 115.894 -0.594 . . . . 74.12 110.048 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.87 138.78 33.78 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.446 -0.946 . . . . 71.41 108.446 175.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -129.59 140.34 51.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 122.95 0.5 . . . . 74.23 109.825 175.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -72.98 117.82 15.17 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 107.595 -1.261 . . . . 70.32 107.595 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -80.3 110.86 16.14 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 124.215 0.947 . . . . 72.11 108.804 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -110.88 101.69 50.41 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 108.286 -1.005 . . . . 71.21 108.286 169.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.78 153.11 76.63 Favored 'Trans proline' 0 C--N 1.365 1.441 0 C-N-CA 122.683 2.255 . . . . 71.43 111.079 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.86 98.56 1.59 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.374 -0.973 . . . . 74.12 108.374 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -57.95 -29.47 65.21 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.31 1.044 . . . . 75.12 111.029 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -144.82 91.71 6.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 124.418 1.087 . . . . 73.13 108.099 171.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.53 ' HB3' ' O ' ' A' ' 87' ' ' ARG . 5.5 Cg_exo -75.66 150.89 36.0 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.43 2.753 . . . . 52.1 112.392 -175.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.22 166.64 26.41 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.798 0.839 . . . . 73.22 110.146 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.2 135.18 34.46 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 123.401 0.68 . . . . 40.31 109.318 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 35.1 m -128.08 154.98 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.789 1.236 . . . . 75.24 108.676 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -105.61 106.15 16.52 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.23 -0.656 . . . . 74.13 109.23 -173.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.461 HD23 ' HD2' ' A' ' 85' ' ' TYR . 2.8 mm? -91.19 134.8 34.25 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 107.813 -1.181 . . . . 73.44 107.813 175.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.75 153.88 35.03 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.788 0.435 . . . . 64.24 110.032 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.4 p -136.41 167.7 20.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.251 0.621 . . . . 73.1 110.464 -177.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.6 p -98.63 -31.38 11.96 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.499 1.12 . . . . 73.14 110.94 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -72.57 -32.82 66.34 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.21 0.604 . . . . 71.33 112.537 -176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.49 -120.75 0.98 Allowed Glycine 0 C--N 1.346 1.112 0 CA-C-O 118.451 -1.194 . . . . 64.43 112.397 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -56.79 137.95 83.49 Favored 'Trans proline' 0 C--N 1.384 2.447 0 C-N-CA 123.829 3.02 . . . . 51.22 112.784 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -64.14 145.08 88.68 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 123.026 2.484 . . . . 73.24 112.822 -173.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.26 111.84 19.75 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.77 0.828 . . . . 72.11 109.646 -175.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.489 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 38.5 mt-10 -88.59 118.04 27.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.283 0.633 . . . . 52.34 110.266 -178.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.461 ' HD2' HD23 ' A' ' 75' ' ' LEU . 63.5 m-85 -126.99 147.87 50.11 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.08 0.952 . . . . 74.02 109.269 -176.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.4 m -86.29 135.85 33.39 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 109.072 -0.714 . . . . 44.42 109.072 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 70' ' ' PRO . 15.5 mtm180 -74.78 115.37 14.29 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.721 -0.474 . . . . 65.22 109.721 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.55 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -83.19 -46.51 12.63 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.297 0.639 . . . . 65.34 111.378 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -159.87 175.13 13.44 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.433 -0.803 . . . . 72.34 110.562 -173.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.0 t -136.19 118.38 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 N-CA-C 107.023 -1.473 . . . . 74.45 107.023 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.407 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 2.5 mm? -101.12 134.58 43.92 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.268 0.627 . . . . 72.3 111.059 -177.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.31 114.94 3.1 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.857 -0.497 . . . . 62.04 111.857 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.533 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 19.7 p90 -134.43 150.93 50.9 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.185 0.594 . . . . 62.31 109.458 -170.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 9.3 p-10 -109.98 112.07 23.85 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.32 -0.992 . . . . 75.04 108.32 169.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tt -92.86 86.18 5.4 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 107.853 -1.166 . . . . 74.53 107.853 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.03 -73.74 2.53 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-N 113.547 -1.661 . . . . 44.42 111.455 164.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -117.47 -24.5 7.32 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.642 0.777 . . . . 63.31 111.197 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.9 m -107.17 123.15 47.85 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.349 0.26 . . . . 61.31 110.756 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 47.1 p-80 -94.89 111.31 23.11 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 108.338 -0.986 . . . . 73.23 108.338 174.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -127.16 156.72 41.35 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 123.983 0.913 . . . . 63.23 109.292 -172.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.8 m -117.41 145.43 44.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 107.909 -1.145 . . . . 55.02 107.909 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.533 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 9.3 tp -139.53 118.8 12.78 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.023 -0.732 . . . . 73.11 109.023 -167.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.9 m -83.97 126.4 32.98 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 122.703 0.401 . . . . 73.21 110.463 -172.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -105.02 127.5 52.89 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.185 0.994 . . . . 71.5 109.823 -178.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.437 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 50.5 m-85 -99.73 174.04 6.41 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.511 0.724 . . . . 73.14 110.522 177.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.55 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 37.3 ttm180 -119.84 121.95 40.24 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.176 0.991 . . . . 75.53 108.942 -173.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.6 131.27 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.042 0.937 . . . . 71.43 109.853 176.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -85.09 159.71 20.12 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.47 1.108 . . . . 65.22 110.79 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.47 -43.02 1.06 Allowed Glycine 0 N--CA 1.483 1.804 0 CA-C-N 115.426 -0.807 . . . . 70.23 112.45 -168.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.443 ' HG3' ' H ' ' A' ' 112' ' ' SER . 12.5 tp10 -77.28 160.06 29.14 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.299 1.44 . . . . 75.02 107.951 161.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.8 m -116.96 -11.43 10.8 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.289 0.635 . . . . 64.44 109.697 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.443 ' H ' ' HG3' ' A' ' 110' ' ' GLU . 37.8 m -89.62 172.63 8.81 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.065 0.946 . . . . 73.42 110.895 -176.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.421 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 21.0 mt -96.4 130.63 43.49 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 107.719 -1.215 . . . . 75.12 107.719 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.1 102.2 14.51 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.128 -1.064 . . . . 74.24 108.128 -173.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 104' ' ' ALA . 12.6 t -111.68 94.92 25.5 Favored Pre-proline 0 N--CA 1.469 0.511 0 C-N-CA 123.043 0.537 . . . . 64.34 109.578 -175.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -76.81 115.81 4.12 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.094 1.863 . . . . 72.41 110.002 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -128.05 160.27 32.48 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 121.901 0.858 . . . . 70.01 111.03 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.619 HG23 ' HG2' ' A' ' 170' ' ' PRO . 11.0 p -127.75 163.18 24.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 113.738 -1.573 . . . . 73.44 107.872 172.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 4.4 p30 -161.14 -160.22 0.72 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.551 0.532 . . . . 74.44 109.971 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.89 -35.2 78.07 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.609 0.596 . . . . 75.25 112.609 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.0 p -74.56 -12.78 60.55 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 113.065 0.765 . . . . 61.23 113.065 -171.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 69.9 p -65.7 -40.91 92.77 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 109.538 -0.542 . . . . 71.45 109.538 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -73.06 -24.1 60.64 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 114.49 -1.232 . . . . 64.3 112.261 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -92.01 -20.4 21.37 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.828 -0.434 . . . . 72.54 109.828 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.48 28.13 66.27 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-N 115.932 -0.577 . . . . 62.43 114.525 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -88.3 -20.96 24.72 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.673 0.749 . . . . 73.24 109.697 171.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.3 p -125.45 -177.52 3.92 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.861 1.264 . . . . 61.25 108.71 169.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -57.12 113.41 1.7 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.69 0.796 . . . . 74.13 112.867 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -57.79 -39.08 76.69 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.18 0.992 . . . . 73.32 111.088 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -70.35 -10.58 59.42 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.435 0.694 . . . . 70.24 111.698 -175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.07 174.04 26.44 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 110.47 -1.052 . . . . 64.43 110.47 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.56 157.7 44.44 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.034 -0.728 . . . . 73.2 109.034 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.567 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 91.9 m-85 -92.55 176.13 6.57 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.442 -0.577 . . . . 74.34 109.442 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.3 tt -146.7 132.92 19.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.388 -1.708 . . . . 73.21 106.388 167.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.85 110.42 22.78 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 107.482 -1.303 . . . . 62.31 107.482 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.38 126.68 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.878 0.471 . . . . 72.53 110.21 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -87.61 116.42 66.07 Favored Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 108.373 -0.973 . . . . 53.44 108.373 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -69.72 -28.28 25.63 Favored 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.224 1.949 . . . . 71.12 112.577 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.15 29.49 4.83 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.436 1.094 . . . . 62.13 112.149 -170.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 48.82 57.49 8.56 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.664 -0.698 . . . . 53.15 114.362 -166.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.01 168.92 19.15 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.478 0.311 . . . . 75.41 110.616 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -134.78 177.01 8.13 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.146 0.578 . . . . 74.24 109.652 -173.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.03 104.8 0.64 Allowed Glycine 0 C--N 1.355 1.63 0 C-N-CA 123.757 0.694 . . . . 44.34 113.528 -173.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.14 8.27 50.83 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 113.801 0.28 . . . . 65.13 113.801 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 5' ' ' PRO . 11.6 m-20 -80.98 -170.99 2.97 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.808 -0.812 . . . . 72.52 108.808 166.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -140.46 153.44 46.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.709 0.766 . . . . 73.54 111.919 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 24.4 m -134.56 161.5 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.288 1.435 . . . . 63.24 108.834 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.96 111.84 19.62 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.887 0.475 . . . . 62.31 109.984 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.97 90.46 7.89 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.379 -1.341 . . . . 71.24 107.379 168.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 51.7 t0 -101.33 119.61 39.01 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 114.613 -1.176 . . . . 71.23 109.643 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.531 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 48.5 m-85 -80.05 -16.46 55.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.064 -0.971 . . . . 72.14 112.528 -174.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.486 HD22 HD22 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -80.2 -4.55 53.53 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 119.704 1.138 . . . . 74.33 111.179 173.255 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.486 HD22 HD22 ' A' ' 152' ' ' ASN . 3.8 mm? -92.14 8.95 35.65 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.311 0.644 . . . . 72.32 110.914 165.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.05 127.46 21.55 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 122.936 0.494 . . . . 43.14 110.889 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.567 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 83.6 t80 -99.51 153.53 18.96 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 124.282 1.033 . . . . 74.23 109.665 -170.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -96.61 123.6 53.58 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.835 1.254 . . . . 63.34 111.862 -166.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' PRO . . . . . 0.535 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 61.5 Cg_endo -75.35 126.55 9.82 Favored 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 122.022 1.814 . . . . 74.51 110.94 166.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -67.85 -22.1 65.15 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.254 0.622 . . . . 75.35 111.752 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 157' ' ' PRO . 25.6 p -57.72 -37.64 73.89 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.089 0.956 . . . . 74.2 111.415 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.29 -10.62 59.55 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.344 0.658 . . . . 72.22 111.643 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -94.04 -12.18 29.12 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.636 0.774 . . . . 65.43 110.26 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 107.15 -25.99 20.29 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 119.876 -0.402 . . . . 72.52 112.459 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -60.73 113.75 5.88 Favored Glycine 0 C--N 1.358 1.781 0 N-CA-C 110.583 -1.007 . . . . 45.33 110.583 172.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.8 m -71.41 89.81 0.94 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.428 0.691 . . . . 61.53 111.49 -167.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -124.59 148.78 47.64 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.124 0.969 . . . . 71.11 111.352 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 36.2 p -73.08 121.51 20.3 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.403 -0.817 . . . . 70.53 109.556 173.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.16 126.39 52.73 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 108.134 -1.061 . . . . 74.1 108.134 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -69.99 97.66 1.18 Allowed 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.852 0.72 . . . . 62.53 109.26 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 92.8 mt -58.64 113.6 7.04 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.05 0.94 . . . . 71.44 109.6 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.619 ' HG2' HG23 ' A' ' 118' ' ' THR . 26.3 Cg_exo -66.39 132.44 29.36 Favored 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 122.627 2.218 . . . . 74.42 112.104 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -67.74 173.78 8.55 Favored 'Trans proline' 0 C--N 1.372 1.811 0 C-N-CA 122.499 2.132 . . . . 75.42 111.867 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -59.77 -28.88 67.79 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.465 0.706 . . . . 51.53 111.694 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.61 -23.15 62.51 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.719 0.808 . . . . 52.33 111.349 177.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.455 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.5 m-20 -103.86 18.92 20.96 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.828 0.451 . . . . 61.24 111.214 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -100.39 109.14 21.29 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.751 -0.463 . . . . 73.22 109.751 172.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 26.2 t -77.02 131.39 73.07 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.011 0.924 . . . . 73.21 109.442 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -80.67 41.98 1.25 Allowed 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 123.149 2.566 . . . . 65.13 112.894 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -143.54 158.53 43.58 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.636 0.775 . . . . 71.44 110.144 -175.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -86.96 106.45 17.81 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.271 0.628 . . . . 74.32 110.147 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.0 mp -96.43 91.8 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 N-CA-C 108.361 -0.977 . . . . 63.21 108.361 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 55.0 p -96.18 65.34 2.4 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.746 0.784 . . . . 62.22 109.451 171.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.265 0 N-CA-C 108.354 -0.98 . . . . 74.13 108.354 178.646 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 CA--C 1.553 1.064 0 N-CA-C 110.442 -0.207 . . . . 73.23 110.442 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.97 126.59 18.35 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.552 2.168 . . . . 73.53 111.497 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.7 mt -175.15 -53.23 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 125.923 1.689 . . . . 75.03 108.017 -167.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -85.27 27.33 0.61 Allowed 'Trans proline' 0 C--N 1.4 3.274 0 C-N-CA 122.032 1.821 . . . . 64.11 111.956 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.66 -12.56 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.255 1.022 . . . . 62.31 111.896 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -71.79 -37.13 70.48 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 119.176 -0.44 . . . . 73.14 110.89 171.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.2 t0 86.08 154.3 0.08 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.761 1.225 . . . . 62.34 109.27 171.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -48.14 120.73 3.73 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.557 0.743 . . . . 75.01 110.947 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.08 -29.5 30.74 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 115.243 1.572 . . . . 55.31 115.243 -157.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -69.94 -45.12 68.15 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 123.084 0.554 . . . . 74.12 110.017 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -69.26 -36.28 76.96 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.529 -0.759 . . . . 55.33 110.857 176.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -60.23 -46.48 89.64 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.607 1.163 . . . . 72.24 110.371 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -58.96 -41.57 87.82 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.737 -1.119 . . . . 72.14 109.766 175.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.06 97.41 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 118.734 -0.651 . . . . 75.41 112.322 173.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 24.3 mmt180 -59.69 -48.26 82.38 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 118.399 0.545 . . . . 72.04 109.621 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.493 HG21 HD12 ' A' ' 54' ' ' ILE . 72.4 mt -63.85 -45.63 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 115.062 -0.972 . . . . 72.21 111.384 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.42 99.09 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.329 0.652 . . . . 74.31 111.029 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.17 77.46 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.615 0.766 . . . . 63.32 111.463 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -67.01 -41.88 85.91 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.616 0.766 . . . . 74.51 109.97 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -63.17 -47.36 82.97 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 115.257 -0.883 . . . . 71.34 109.954 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.68 79.32 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.572 0.749 . . . . 65.24 111.22 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.99 -59.23 5.75 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.029 0.932 . . . . 72.44 110.869 172.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -64.46 -18.06 64.41 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.293 0.637 . . . . 72.12 112.322 -179.392 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HA ' HD23 ' A' ' 49' ' ' LEU . 16.6 t70 -78.39 -53.44 7.27 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.84 1.256 . . . . 75.33 109.708 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.23 -17.44 59.5 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.014 -0.539 . . . . 74.13 111.352 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -48.52 -69.45 0.12 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.329 1.052 . . . . 73.15 111.724 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.679 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -59.99 -25.33 65.18 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.265 0.468 . . . . 64.51 112.265 -172.637 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.58 -54.1 6.8 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.118 0.567 . . . . 54.1 111.575 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p -88.64 -56.3 3.36 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.102 0.561 . . . . 71.33 111.393 -171.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -47.42 102.6 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.275 1.43 . . . . 64.43 111.92 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.39 -19.08 63.82 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.286 1.034 . . . . 73.45 112.536 -172.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -81.16 -5.88 58.21 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.499 0.72 . . . . 71.23 111.919 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.6 m -154.55 67.42 5.48 Favored Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 124.663 1.185 . . . . 44.44 108.118 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -85.65 137.66 5.84 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.327 2.018 . . . . 71.41 112.476 -174.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.5 tt -77.93 134.0 64.9 Favored Pre-proline 0 CA--C 1.554 1.107 0 N-CA-C 107.988 -1.116 . . . . 74.54 107.988 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -31.83 132.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.394 2.934 0 C-N-CA 124.853 3.702 . . . . 75.53 114.676 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -52.84 -24.09 22.84 Favored 'Trans proline' 0 C--N 1.384 2.445 0 C-N-CA 123.737 2.958 . . . . 62.51 114.15 -171.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.52 -49.38 66.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.208 0.603 . . . . 40.42 111.222 175.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -78.75 -34.92 45.33 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.649 0.78 . . . . 73.44 110.488 -177.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -57.79 -37.73 74.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.759 0.823 . . . . 72.03 110.846 170.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.01 -37.63 73.76 Favored Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.414 -0.812 . . . . 52.34 111.772 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.81 19.35 4.83 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.017 0.927 . . . . 73.24 112.146 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -73.12 103.54 3.9 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.233 0.54 . . . . 63.11 110.497 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -111.87 4.21 18.14 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.243 1.017 . . . . 60.24 108.951 171.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.86 147.13 12.16 Favored Glycine 0 C--N 1.342 0.882 0 N-CA-C 109.969 -1.252 . . . . 73.44 109.969 -167.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.582 HD21 HD21 ' A' ' 30' ' ' LEU . 2.5 mm? -80.43 169.74 17.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.405 0.682 . . . . 74.1 110.17 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' N ' ' HD2' ' A' ' 50' ' ' ARG . 3.4 mpt_? -91.81 141.89 28.17 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.527 -0.76 . . . . 65.22 109.518 -168.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -162.59 168.77 21.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.441 0.696 . . . . 74.34 110.557 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -102.9 172.32 6.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.273 1.029 . . . . 62.24 109.391 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -74.31 160.65 30.8 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.865 0.466 . . . . 71.44 110.2 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.493 HD12 HG21 ' A' ' 19' ' ' ILE . 11.5 mm -71.48 116.07 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 123.536 0.522 . . . . 75.12 109.846 -174.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -112.17 115.39 28.76 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.274 0.63 . . . . 72.14 109.837 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.72 -17.21 61.64 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.444 0.697 . . . . 63.12 112.363 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.9 m -81.48 -16.73 51.02 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.439 0.296 . . . . 70.42 110.826 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.89 -9.8 59.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.703 0.401 . . . . 71.3 111.278 169.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 11.8 ttm180 -89.69 95.29 10.19 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.089 -1.078 . . . . 74.24 108.089 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.2 m -100.22 147.17 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.279 -0.637 . . . . 73.55 109.279 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.95 112.95 21.67 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.21 -1.033 . . . . 72.4 108.21 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -105.93 129.43 54.08 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.138 -0.689 . . . . 41.31 109.138 -173.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.66 110.12 7.7 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 108.511 -0.922 . . . . 74.11 108.511 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -77.02 129.03 35.56 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 124.244 1.018 . . . . 65.43 109.643 -172.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 24.6 tt0 -133.03 103.55 12.88 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 123.752 0.821 . . . . 64.2 109.323 172.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.22 161.03 47.51 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.003 1.802 . . . . 73.02 111.782 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.04 113.1 14.39 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.253 -1.017 . . . . 60.14 108.253 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -68.82 -20.49 64.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.466 0.706 . . . . 75.44 110.983 -174.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.5 82.66 12.57 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 107.138 -1.43 . . . . 73.44 107.138 172.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.17 130.39 32.15 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.7 2.267 . . . . 64.03 112.3 -175.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -134.77 157.38 46.89 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.862 0.865 . . . . 74.42 110.725 -170.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.35 114.65 27.25 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.601 0.76 . . . . 64.22 111.231 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 19.6 m -107.07 168.44 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.573 1.149 . . . . 65.45 109.892 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -108.62 129.39 55.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.976 0.51 . . . . 74.1 110.218 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.0 139.73 49.97 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 108.093 -1.077 . . . . 71.33 108.093 171.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -66.37 150.23 49.2 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.538 -0.542 . . . . 72.42 109.538 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.1 p -125.56 153.92 42.97 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.638 -0.505 . . . . 74.44 109.638 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.561 HG23 HD11 ' A' ' 169' ' ' LEU . 22.9 p -74.28 -29.76 61.8 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.841 -0.618 . . . . 74.35 110.291 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -81.81 -24.2 36.05 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.006 0.743 . . . . 72.34 113.006 -172.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.45 -123.45 1.19 Allowed Glycine 0 C--N 1.356 1.642 0 CA-C-O 118.681 -1.066 . . . . 34.51 113.609 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.52 153.42 71.45 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 123.621 2.881 . . . . 53.35 113.428 -174.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.98 140.23 65.17 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.036 1.824 . . . . 54.15 111.886 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.97 129.33 45.27 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.136 0.974 . . . . 64.45 110.203 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 15.3 pt-20 -80.39 125.54 30.04 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 123.693 0.621 . . . . 65.01 110.495 177.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 168' ' ' ALA . 45.0 m-85 -128.94 142.82 50.81 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.518 -0.919 . . . . 74.44 108.518 174.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.8 m -85.44 139.63 31.37 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.401 -0.592 . . . . 72.31 109.401 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -75.53 116.69 16.52 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.482 -0.562 . . . . 72.42 109.482 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -86.14 -50.54 6.93 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.639 0.375 . . . . 63.23 110.875 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.53 173.55 16.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.607 0.718 . . . . 71.14 111.61 -173.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.9 t -134.48 119.08 28.48 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 125.305 1.442 . . . . 75.23 107.207 174.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.482 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.0 mm? -99.07 118.35 35.62 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.788 0.835 . . . . 73.25 110.58 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.46 116.89 4.87 Favored Glycine 0 N--CA 1.471 0.983 0 N-CA-C 110.656 -0.978 . . . . 70.3 110.656 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.599 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 52.5 p90 -143.24 -175.38 4.51 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 117.61 0.705 . . . . 71.05 110.292 -169.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -139.18 137.71 36.28 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.333 0.587 . . . . 74.04 109.703 171.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.4 tp -139.13 136.41 35.12 Favored 'General case' 0 C--O 1.249 1.038 0 C-N-CA 124.692 1.197 . . . . 72.14 108.054 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.67 -107.69 1.97 Allowed Glycine 0 C--N 1.353 1.506 0 CA-C-O 120.989 0.216 . . . . 42.31 112.953 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -117.73 -5.41 11.11 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.195 0.998 . . . . 71.45 110.251 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.6 m -115.94 132.96 56.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.002 0.521 . . . . 70.5 111.298 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -86.85 124.33 32.96 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 106.845 -1.539 . . . . 74.43 106.845 167.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -138.92 153.6 48.26 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.081 0.467 . . . . 73.44 110.558 -171.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 m -118.07 148.37 42.35 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.184 0.994 . . . . 71.32 109.016 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.599 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 6.2 tp -141.63 131.91 25.01 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.186 -0.672 . . . . 53.12 109.186 -171.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 m -87.81 127.98 35.33 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.469 0.307 . . . . 75.12 110.769 -174.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -101.9 120.84 41.04 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.541 0.737 . . . . 53.54 109.423 174.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.58 171.95 8.22 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 122.965 0.506 . . . . 70.22 109.857 175.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.569 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 39.6 ttm180 -119.85 131.56 55.32 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.401 1.08 . . . . 71.15 108.91 -175.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.21 113.4 44.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 124.573 1.149 . . . . 74.22 107.979 170.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.19 132.04 52.41 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.185 0.994 . . . . 73.02 111.583 -172.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 88.34 -21.62 24.05 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-N 115.857 -0.61 . . . . 71.32 112.637 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -97.12 129.19 44.55 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.828 0.851 . . . . 73.42 109.202 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.0 t -67.94 -24.57 65.19 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.875 1.27 . . . . 61.44 112.618 -178.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.532 ' HB3' ' HB2' ' A' ' 135' ' ' ASP . 15.2 m -90.49 143.34 26.84 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.529 0.732 . . . . 71.21 111.17 -174.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 21.1 mt -83.81 137.68 33.59 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.167 0.987 . . . . 74.43 108.93 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.56 103.97 15.86 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.605 -0.887 . . . . 61.53 108.605 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 104' ' ' ALA . 24.2 t -108.8 100.37 39.02 Favored Pre-proline 0 C--O 1.244 0.788 0 C-N-CA 124.029 0.932 . . . . 74.34 108.566 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 90.2 Cg_endo -86.96 135.01 3.81 Favored 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 122.576 2.184 . . . . 72.4 110.814 169.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -151.02 167.98 26.0 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.381 0.61 . . . . 53.15 111.416 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.8 p -137.36 171.17 14.87 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 114.414 -1.266 . . . . 75.22 107.822 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -160.53 -168.35 2.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.811 0.844 . . . . 75.21 109.985 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -67.34 -33.98 76.38 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 119.636 -0.221 . . . . 74.43 111.583 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.5 m -71.52 -37.43 71.2 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.16 0.584 . . . . 71.13 111.19 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.484 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 27.6 p -73.98 -42.1 60.95 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.143 177.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.93 -26.84 67.78 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.654 0.782 . . . . 55.3 111.303 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -75.65 -4.99 43.26 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.174 0.99 . . . . 65.33 111.183 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.4 -26.72 6.13 Favored Glycine 0 C--N 1.35 1.338 0 N-CA-C 114.705 0.642 . . . . 74.42 114.705 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -68.3 -18.93 64.64 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 112.901 0.704 . . . . 73.42 112.901 -171.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.9 p -125.95 171.68 10.55 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.419 0.687 . . . . 75.11 109.252 164.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -69.64 99.54 1.32 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.815 0.846 . . . . 73.41 112.574 -162.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.484 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 10.1 pt-20 -58.93 -30.27 67.74 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.842 1.657 . . . . 74.41 113.27 -176.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -70.0 -16.87 63.24 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.369 0.668 . . . . 71.3 111.706 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 139.55 157.42 7.28 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-O 121.194 0.33 . . . . 74.11 113.022 170.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 20.2 mtp180 -115.06 143.22 45.53 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.259 1.424 . . . . 65.54 108.04 174.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -94.4 151.33 19.47 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.715 -0.476 . . . . 73.4 109.715 169.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.2 tt -148.65 125.2 11.03 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 106.665 -1.606 . . . . 73.14 106.665 170.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.532 ' HB2' ' HB3' ' A' ' 112' ' ' SER . 4.7 p-10 -96.66 131.38 43.38 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.25 -1.019 . . . . 70.53 108.25 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.55 122.99 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 108.871 -0.789 . . . . 73.0 108.871 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.89 122.73 78.2 Favored Pre-proline 0 C--O 1.241 0.606 0 N-CA-C 106.915 -1.513 . . . . 73.35 106.915 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -62.34 -25.26 76.32 Favored 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 122.554 2.17 . . . . 75.53 113.364 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 53.13 33.04 14.23 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 124.358 1.036 . . . . 72.43 112.3 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 54.43 34.96 55.32 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 115.397 -0.819 . . . . 61.02 114.548 -173.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -74.3 158.75 33.46 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.045 0.45 . . . . 73.12 111.179 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -127.4 169.6 13.43 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.821 0.848 . . . . 73.22 108.859 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 65' ' ' GLN . . . -62.56 111.37 3.98 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 123.637 0.586 . . . . 64.35 111.766 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.46 -11.97 28.23 Favored Glycine 0 N--CA 1.471 1.017 0 CA-C-O 119.697 -0.502 . . . . 71.15 113.757 -176.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.2 -173.98 4.28 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 108.819 -0.808 . . . . 51.4 108.819 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -146.25 156.24 43.24 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.543 0.687 . . . . 60.24 111.477 174.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 28.6 m -134.08 166.6 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 114.7 -1.137 . . . . 64.13 109.748 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.41 110.87 20.01 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.931 0.493 . . . . 51.4 110.844 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.32 86.93 3.29 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 108.361 -0.977 . . . . 43.21 108.361 170.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 27.7 t70 -90.13 106.82 18.74 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.796 -0.816 . . . . 50.03 108.796 172.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.589 ' HB3' HG21 ' A' ' 180' ' ' ILE . 39.5 m-85 -73.32 -14.61 61.33 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.818 -1.083 . . . . 75.32 111.283 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.32 -21.41 61.99 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 123.333 0.653 . . . . 73.24 111.588 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 19' ' ' ILE . 3.2 mm? -72.18 -26.75 62.19 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 118.84 -0.6 . . . . 75.12 111.533 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.448 ' HB3' HH21 ' A' ' 132' ' ' ARG . . . -45.61 118.31 1.74 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.46 1.104 . . . . 75.12 113.609 -164.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -100.93 165.81 11.15 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 125.239 1.415 . . . . 72.11 109.938 -170.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -102.69 126.36 33.05 Favored Pre-proline 0 CA--C 1.551 0.999 0 CA-C-N 114.499 -1.228 . . . . 71.12 108.536 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.38 142.65 68.81 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.818 2.345 . . . . 71.12 112.681 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.473 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 68.4 m-85 -74.35 -3.93 33.3 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 113.558 0.947 . . . . 75.05 113.558 -172.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 49.3 t -68.02 -26.25 65.79 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.403 0.681 . . . . 71.43 111.007 167.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -81.76 -18.86 42.73 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.892 0.477 . . . . 74.22 112.029 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 33.1 m-85 -85.88 -11.09 54.15 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.027 0.531 . . . . 65.24 111.521 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.12 -17.87 0.05 OUTLIER Glycine 0 C--N 1.35 1.338 0 N-CA-C 114.758 0.663 . . . . 63.14 114.758 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 96.55 42.91 3.29 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 111.13 -0.788 . . . . 71.01 111.13 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 51.1 m -133.23 68.88 1.49 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.479 0.712 . . . . 63.15 109.563 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.23 152.69 0.11 Allowed 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 125.504 1.522 . . . . 54.41 109.003 176.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 39.5 m -114.77 96.26 5.64 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 107.708 -1.219 . . . . 74.31 107.708 172.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 15.8 p -89.69 141.47 28.58 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.904 -0.406 . . . . 71.52 109.904 -164.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.414 ' HB2' ' CE1' ' A' ' 85' ' ' TYR . . . -80.07 93.25 5.74 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.531 0.732 . . . . 54.12 109.642 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.561 HD11 HG23 ' A' ' 78' ' ' THR . 8.2 mp -60.29 125.58 82.04 Favored Pre-proline 0 N--CA 1.475 0.804 0 N-CA-C 108.874 -0.787 . . . . 63.53 108.874 175.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -65.86 150.89 85.48 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.214 1.943 . . . . 52.51 111.805 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -63.35 161.42 30.99 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.072 1.848 . . . . 74.21 111.196 170.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -52.08 -31.56 30.94 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.033 0.933 . . . . 73.53 112.725 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -69.21 -21.49 63.94 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.065 0.946 . . . . 74.44 112.549 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.18 28.87 1.77 Allowed 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.156 0.503 . . . . 75.2 111.209 -175.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -93.16 110.81 22.32 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.774 0.83 . . . . 71.2 108.974 168.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.6 127.52 84.14 Favored Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 108.279 -1.008 . . . . 75.12 108.279 173.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -78.61 46.0 2.03 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 123.099 2.533 . . . . 42.14 112.476 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -143.16 155.0 44.46 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 124.239 1.015 . . . . 70.4 109.247 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.99 110.54 21.51 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.317 0.647 . . . . 72.4 109.946 175.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 180' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.5 mp -106.8 85.2 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 106.324 -1.732 . . . . 64.21 106.324 177.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.94 83.04 8.19 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.392 -0.822 . . . . 64.42 110.321 -174.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.729 0 C-N-CA 124.01 0.924 . . . . 64.14 108.989 175.946 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.4 tt . . . . . 0 CA--C 1.568 1.672 0 N-CA-C 110.269 -0.271 . . . . 44.14 110.269 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.56 127.98 9.21 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.599 2.199 . . . . 74.33 110.293 170.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mt -176.36 -51.09 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 125.99 1.716 . . . . 62.15 108.07 -170.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -80.83 22.53 0.78 Allowed 'Trans proline' 0 C--N 1.399 3.218 0 C-N-CA 122.206 1.937 . . . . 64.4 112.461 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.89 -28.43 44.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 C-N-CA 124.573 1.149 . . . . 65.31 111.32 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -79.2 91.58 4.99 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.576 0.75 . . . . 64.33 110.24 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -29.67 140.91 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.606 1.562 . . . . 71.44 113.924 168.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.0 t -49.76 138.37 14.71 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 123.743 0.652 . . . . 70.14 109.961 170.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -42.05 -37.86 1.5 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 125.019 1.328 . . . . 62.23 114.023 -169.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.66 -55.54 25.98 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.608 0.763 . . . . 74.42 110.499 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -67.33 -28.37 67.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.899 0.879 . . . . 74.43 111.496 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.516 ' O ' HG13 ' A' ' 19' ' ' ILE . 34.9 t90 -69.55 -50.66 42.67 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.182 0.993 . . . . 72.32 109.765 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.446 ' HA ' HD12 ' A' ' 19' ' ' ILE . 56.6 mtt180 -69.84 -28.1 65.4 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.069 -0.514 . . . . 74.34 110.84 177.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.23 96.4 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 118.898 -0.573 . . . . 64.2 111.077 168.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 29.2 mmt180 -58.15 -52.33 66.01 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 109.589 -0.522 . . . . 73.35 109.589 174.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 15' ' ' TRP . 13.1 mt -57.35 -53.99 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 124.329 1.018 . . . . 63.42 111.266 -176.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.79 86.97 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 124.359 1.037 . . . . 52.4 111.726 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.89 -34.12 68.9 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.039 0.535 . . . . 42.15 111.935 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -74.19 -33.68 63.5 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.309 0.644 . . . . 64.31 110.199 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -69.11 -45.42 70.26 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 123.541 0.736 . . . . 71.12 109.116 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.2 96.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.663 0.785 . . . . 73.31 110.568 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.66 -60.23 3.73 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.735 -1.121 . . . . 73.34 110.37 173.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.605 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 41.3 mmtm -70.15 -12.92 61.94 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.359 0.664 . . . . 64.34 112.645 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.565 ' HA ' HD23 ' A' ' 49' ' ' LEU . 26.3 t70 -71.4 -53.22 14.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.246 0.618 . . . . 75.44 110.381 170.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -82.89 -14.06 54.92 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.398 -0.364 . . . . 74.45 111.908 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -56.15 -59.82 4.38 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.411 1.085 . . . . 72.13 112.225 -175.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.35 -9.59 58.76 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.332 0.494 . . . . 74.33 112.332 -175.557 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.29 -48.94 6.2 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.43 0.692 . . . . 74.13 111.39 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.9 p -113.44 -55.5 2.51 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.61 0.764 . . . . 71.13 110.965 -169.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -57.87 123.62 16.39 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 115.188 -0.915 . . . . 73.23 111.367 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.98 -8.57 38.37 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.683 1.193 . . . . 64.21 113.738 -172.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.68 -28.85 68.04 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.174 0.99 . . . . 53.31 112.299 -169.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 66.1 m -154.26 136.38 9.49 Favored Pre-proline 0 N--CA 1.48 1.026 0 N-CA-C 107.89 -1.152 . . . . 73.12 107.89 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -91.31 159.49 3.73 Favored 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 122.519 2.146 . . . . 54.54 112.28 173.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.545 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 15.4 tt -106.88 144.11 28.43 Favored Pre-proline 0 CA--C 1.554 1.115 0 N-CA-C 106.902 -1.518 . . . . 72.41 106.902 165.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -54.28 142.67 67.64 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 121.977 1.785 . . . . 75.24 112.319 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.38 -26.02 81.72 Favored 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 123.302 2.668 . . . . 75.22 113.443 -171.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.41 90.4 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.517 0.727 . . . . 53.05 110.872 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.81 -30.45 51.22 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.609 0.764 . . . . 73.45 110.475 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HB2' HG23 ' A' ' 38' ' ' ILE . 65.2 ttt180 -68.39 -32.52 72.65 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.292 0.637 . . . . 75.3 111.33 175.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.04 -44.47 45.33 Favored Glycine 0 C--N 1.348 1.216 0 N-CA-C 111.43 -0.668 . . . . 71.32 111.43 173.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.43 28.7 1.07 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.001 0.921 . . . . 62.32 111.735 175.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -77.32 101.13 6.16 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.148 0.499 . . . . 55.11 110.305 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -92.65 -50.18 5.73 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.648 -0.871 . . . . 75.22 108.648 168.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 174.12 178.65 44.2 Favored Glycine 0 C--O 1.244 0.767 0 CA-C-N 114.479 -1.237 . . . . 32.44 112.186 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 30' ' ' LEU . 4.4 mm? -99.36 158.82 15.45 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.094 0.558 . . . . 75.22 111.156 177.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -98.23 121.02 39.65 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.148 -0.933 . . . . 54.31 110.958 -166.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -126.9 146.3 50.35 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.726 -1.213 . . . . 75.11 107.726 168.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -101.15 175.03 5.73 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.535 0.734 . . . . 70.14 110.043 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.52 134.63 56.66 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.812 0.695 . . . . 75.13 110.791 -170.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.425 HG21 ' HG2' ' A' ' 16' ' ' ARG . 38.2 mm -67.58 133.81 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 C-N-CA 124.24 1.016 . . . . 74.41 110.905 -172.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -150.81 118.96 6.3 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.746 0.308 . . . . 74.01 111.204 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.89 -11.72 59.79 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.268 1.027 . . . . 70.42 113.169 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.0 m -79.01 -25.74 43.28 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 110.253 -0.277 . . . . 72.22 110.253 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -75.62 2.71 11.14 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.296 0.638 . . . . 64.14 112.464 172.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.54 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 32.9 ttm180 -91.37 108.17 19.7 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.134 -1.061 . . . . 53.1 108.134 171.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.5 m -100.37 145.5 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 108.775 -0.824 . . . . 73.04 108.775 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.4 123.54 33.05 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.704 -1.221 . . . . 70.41 107.704 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.84 137.56 51.48 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.668 -0.493 . . . . 73.21 109.668 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.01 115.14 13.13 Favored 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.118 0.886 . . . . 74.01 108.811 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.448 ' HA ' HD13 ' A' ' 91' ' ' LEU . 35.6 t80 -81.91 113.65 19.98 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 123.962 0.905 . . . . 73.44 109.39 -176.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -113.96 104.59 54.94 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 107.94 -1.133 . . . . 52.01 107.94 170.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.5 151.5 79.8 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.141 1.894 . . . . 65.12 111.255 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.73 100.54 2.87 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.39 -1.337 . . . . 62.01 107.39 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -56.56 -20.03 18.71 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.041 0.936 . . . . 64.13 111.93 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -141.75 93.39 7.62 Favored Pre-proline 0 CA--C 1.551 0.995 0 N-CA-C 107.367 -1.345 . . . . 64.3 107.367 168.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.86 127.61 19.02 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.752 2.302 . . . . 75.55 111.922 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -132.39 153.81 50.42 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.262 0.625 . . . . 70.14 109.804 -173.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.99 135.17 36.83 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.598 0.759 . . . . 64.31 110.38 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 85' ' ' TYR . 5.1 m -132.88 164.23 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.034 1.334 . . . . 73.12 108.756 -177.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -108.38 130.18 55.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.254 0.622 . . . . 42.33 109.483 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -116.29 122.69 45.7 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.286 -1.375 . . . . 54.23 107.286 167.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HB2' HD12 ' A' ' 169' ' ' LEU . 46.1 mt-10 -64.58 156.81 28.73 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.783 0.433 . . . . 62.33 110.315 -176.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.0 p -119.68 151.78 38.19 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.42 0.555 . . . . 53.21 109.545 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.3 p -66.34 -25.99 67.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.39 0.676 . . . . 75.25 110.925 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -90.72 -7.89 51.32 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.555 0.742 . . . . 73.51 111.436 -175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.38 -119.02 1.71 Allowed Glycine 0 C--N 1.353 1.504 0 CA-C-O 118.754 -1.025 . . . . 70.4 113.08 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 13.1 Cg_endo -51.26 133.91 43.13 Favored 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 125.001 3.801 . . . . 64.24 113.78 -171.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 25.4 Cg_exo -63.72 141.45 79.09 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 123.029 2.486 . . . . 73.14 113.601 -176.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.18 117.17 24.83 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.854 1.262 . . . . 73.34 108.907 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.91 125.51 32.71 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.336 0.654 . . . . 73.35 110.594 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.508 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 70.0 m-85 -133.56 150.67 51.64 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.623 0.769 . . . . 73.25 109.392 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.3 m -89.37 130.64 35.71 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.561 -0.903 . . . . 71.42 108.561 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -74.95 115.92 15.1 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.751 0.705 . . . . 75.0 109.134 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.624 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -97.81 -35.9 10.37 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.927 0.891 . . . . 52.41 111.764 -176.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.18 170.02 21.56 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.98 0.512 . . . . 74.53 110.465 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.496 HG12 HG22 ' A' ' 101' ' ' THR . 7.6 t -136.79 112.07 11.1 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 N-CA-C 107.205 -1.406 . . . . 65.53 107.205 175.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 64' ' ' TYR . 3.5 mm? -93.4 127.57 39.07 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.076 0.95 . . . . 75.11 110.388 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -118.62 127.5 7.29 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-O 119.617 -0.546 . . . . 74.22 111.873 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -152.24 170.77 19.21 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 117.591 0.696 . . . . 74.43 110.268 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.555 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 6.0 p-10 -116.78 144.39 44.53 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.096 -0.705 . . . . 74.13 109.096 170.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.51 133.53 42.3 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 106.922 -1.51 . . . . 74.5 106.922 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.91 -104.77 0.71 Allowed Glycine 0 C--N 1.355 1.585 0 CA-C-O 121.008 0.227 . . . . 74.23 113.215 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -114.8 -7.04 12.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.612 0.765 . . . . 51.32 111.607 -175.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.441 ' HB2' ' HG3' ' A' ' 177' ' ' PRO . 68.6 m -137.21 155.46 49.49 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.692 0.758 . . . . 44.32 112.409 -173.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 6.3 p80 -105.13 138.11 41.84 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.884 -1.053 . . . . 74.14 110.406 -177.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -139.57 153.57 47.43 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.115 0.966 . . . . 72.3 109.782 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.496 HG22 HG12 ' A' ' 90' ' ' VAL . 10.4 m -128.3 116.12 19.34 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 114.995 -1.002 . . . . 73.54 108.668 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 mp -103.18 141.0 36.62 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.942 1.297 . . . . 71.54 109.433 -173.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 15.0 m -91.41 130.73 37.21 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 110.042 -0.355 . . . . 63.43 110.042 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.03 129.67 48.39 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.535 1.134 . . . . 75.43 109.513 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.508 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 65.7 m-85 -107.82 145.55 33.46 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.569 0.748 . . . . 72.1 110.921 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.624 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 52.1 ttt180 -91.51 121.05 32.86 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 125.378 1.471 . . . . 61.14 108.281 173.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.623 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 17.0 t -95.01 127.2 47.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 108.288 -1.005 . . . . 23.11 108.288 175.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -53.39 115.3 1.85 Allowed 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 124.36 1.064 . . . . 71.12 112.428 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 88.44 -7.27 82.19 Favored Glycine 0 N--CA 1.473 1.112 0 CA-C-N 115.774 -0.648 . . . . 70.43 113.511 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.623 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 13.7 tp10 -103.59 129.7 50.89 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.833 0.853 . . . . 74.41 109.729 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.6 m -70.9 -27.84 64.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.328 1.051 . . . . 60.14 112.569 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.7 m -90.42 141.86 28.31 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.385 0.674 . . . . 64.15 110.561 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.2 mt -81.21 144.84 31.31 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.095 0.958 . . . . 64.42 109.293 175.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -100.44 109.31 21.45 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.644 -1.243 . . . . 73.13 107.644 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.0 90.93 5.8 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 107.543 -1.28 . . . . 73.31 107.543 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.477 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 61.4 Cg_endo -72.81 132.6 18.77 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 121.972 1.781 . . . . 52.13 110.105 176.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -152.58 167.52 28.58 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.447 0.641 . . . . 71.21 111.666 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.456 HG23 ' HG3' ' A' ' 170' ' ' PRO . 15.1 p -134.27 149.41 50.92 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.01 -1.45 . . . . 64.34 109.553 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -112.56 -176.6 2.95 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.131 -1.063 . . . . 72.41 108.131 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 179' ' ' ALA . 28.2 mm-40 -63.37 -17.58 62.77 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 122.255 0.222 . . . . 74.33 111.048 167.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 76.8 p -54.94 -27.33 42.7 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.951 1.301 . . . . 75.14 112.408 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 71.4 p -70.69 -49.82 43.04 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.794 0.838 . . . . 73.1 110.642 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.59 -31.16 71.93 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.354 1.061 . . . . 73.45 110.886 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.38 -33.08 74.77 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.685 1.194 . . . . 64.04 111.842 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.07 -43.86 1.72 Allowed Glycine 0 C--N 1.349 1.258 0 CA-C-O 119.216 -0.769 . . . . 71.11 114.761 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -54.98 -45.97 75.07 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 124.112 0.965 . . . . 75.2 112.991 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 128' ' ' TYR . 1.3 m -89.23 -174.95 4.61 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 114.926 -1.034 . . . . 70.5 109.264 -174.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.464 ' H ' HG22 ' A' ' 127' ' ' THR . 26.3 p90 -46.77 143.84 2.63 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.332 1.053 . . . . 74.54 111.998 172.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -86.53 -51.13 6.36 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.93 0.492 . . . . 74.43 109.673 167.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.428 ' HE1' ' HB2' ' A' ' 159' ' ' CYS . 10.4 p-80 -70.12 -24.36 63.18 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.212 0.819 . . . . 72.3 113.212 -164.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.27 -177.02 16.88 Favored Glycine 0 C--N 1.34 0.781 0 CA-C-O 121.751 0.639 . . . . 34.24 113.446 -175.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.477 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 30.6 ptt180 -142.1 -176.29 4.75 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.143 -1.428 . . . . 65.12 107.143 172.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 94.4 m-85 -113.52 173.44 6.41 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 123.447 0.699 . . . . 75.4 110.512 173.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.458 HD22 HG22 ' A' ' 136' ' ' VAL . 1.6 tt -132.83 119.76 20.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.222 -2.14 . . . . 63.51 105.222 164.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -90.88 99.74 12.72 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.322 -1.362 . . . . 74.34 107.322 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.458 HG22 HD22 ' A' ' 134' ' ' LEU . 57.2 t -100.54 124.35 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 114.69 -1.141 . . . . 65.31 109.291 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -85.58 107.49 12.65 Favored Pre-proline 0 C--O 1.241 0.61 0 N-CA-C 105.975 -1.861 . . . . 74.42 105.975 171.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.22 -23.53 66.21 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.338 2.026 . . . . 72.4 112.346 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 52.18 36.17 18.56 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 124.405 1.082 . . . . 43.33 111.894 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 50.73 50.13 38.36 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.71 0.631 . . . . 63.13 114.378 -171.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -71.97 168.4 18.1 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.437 0.695 . . . . 71.21 112.041 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -143.96 170.05 16.66 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.972 0.509 . . . . 74.11 110.29 -174.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.8 115.26 6.59 Favored Glycine 0 C--N 1.354 1.535 0 C-N-CA 123.727 0.679 . . . . 74.24 113.639 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.69 -1.71 60.06 Favored Glycine 0 N--CA 1.467 0.766 0 O-C-N 123.818 0.363 . . . . 52.54 112.856 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -82.63 -172.75 4.24 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.47 -0.937 . . . . 74.42 108.47 169.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -144.03 155.01 43.84 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.176 0.512 . . . . 72.5 111.508 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 35.5 m -134.98 161.4 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.054 0.942 . . . . 74.15 109.764 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.23 108.32 14.77 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.479 0.712 . . . . 74.22 110.981 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.74 91.94 6.32 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 108.208 -1.034 . . . . 73.31 108.208 170.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.54 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 9.1 t0 -97.35 110.49 23.03 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.688 -0.687 . . . . 60.33 109.395 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.431 ' HB3' HG21 ' A' ' 180' ' ' ILE . 17.4 m-85 -80.19 -18.33 49.93 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.488 0.715 . . . . 72.32 111.675 -177.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.607 ' HA ' ' HB1' ' A' ' 182' ' ' ALA . 28.5 t-20 -74.33 -36.01 63.65 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.435 -0.58 . . . . 53.11 109.435 173.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' A' ' 19' ' ' ILE . 8.7 mp -95.74 10.94 35.25 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 114.994 -1.003 . . . . 74.22 111.619 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -53.73 150.73 6.94 Favored 'General case' 0 C--O 1.243 0.715 0 O-C-N 124.017 0.823 . . . . 74.11 111.195 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.605 ' HE1' ' HE2' ' A' ' 26' ' ' LYS . 67.7 t80 -95.39 137.02 35.02 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 108.004 -1.11 . . . . 73.41 108.004 -172.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ASN . . . . . 0.49 ' HA ' ' HD3' ' A' ' 157' ' ' PRO . 45.3 m-80 -118.24 131.11 24.35 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 122.556 0.342 . . . . 74.52 111.245 -167.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 156' ' ' ASN . 10.7 Cg_exo -73.79 163.55 36.86 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 123.564 2.843 . . . . 73.23 112.596 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -86.15 -4.16 59.11 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.618 0.767 . . . . 64.24 112.723 -171.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' CYS . . . . . 0.428 ' HB2' ' HE1' ' A' ' 130' ' ' HIS . 15.5 m -62.0 -34.45 76.21 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.748 1.018 . . . . 73.53 113.748 -171.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -78.72 10.3 3.4 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 112.938 0.718 . . . . 65.51 112.938 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -90.67 8.05 36.36 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 109.666 -0.494 . . . . 63.41 109.666 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.81 -40.08 2.54 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 111.281 -0.728 . . . . 63.25 111.281 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -66.15 148.64 51.02 Favored Glycine 0 C--N 1.349 1.268 0 N-CA-C 111.931 -0.468 . . . . 62.35 111.931 169.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 13.1 m -100.74 92.71 5.21 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.057 -1.09 . . . . 75.23 108.057 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -97.8 155.34 17.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.114 0.566 . . . . 51.2 110.563 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 33.2 p -76.97 132.1 38.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.224 0.61 . . . . 73.11 109.974 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 10.4 p -144.34 126.35 15.46 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.604 0.762 . . . . 73.02 109.375 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -68.87 113.02 5.92 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.802 0.841 . . . . 73.33 110.299 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 76' ' ' GLU . 97.4 mt -62.71 141.54 97.08 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.45 1.1 . . . . 73.31 110.868 178.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.456 ' HG3' HG23 ' A' ' 118' ' ' THR . 37.0 Cg_endo -64.81 148.47 90.03 Favored 'Trans proline' 0 C--N 1.368 1.573 0 C-N-CA 122.678 2.252 . . . . 75.11 112.447 175.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.77 148.41 22.16 Favored 'Trans proline' 0 C--N 1.371 1.747 0 C-N-CA 122.652 2.235 . . . . 73.24 111.912 162.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -43.05 -35.21 1.2 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.382 1.623 . . . . 74.33 115.382 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -92.99 -2.11 56.06 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.305 0.574 . . . . 70.33 111.884 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -85.66 16.84 3.64 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 121.795 0.807 . . . . 61.35 110.633 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -93.74 114.41 26.69 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.03 -1.1 . . . . 70.43 108.03 167.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 33.8 m -81.47 143.12 50.93 Favored Pre-proline 0 CA--C 1.553 1.062 0 N-CA-C 109.054 -0.721 . . . . 44.33 109.054 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.441 ' HG3' ' HB2' ' A' ' 98' ' ' SER . 44.9 Cg_endo -87.53 38.83 0.53 Allowed 'Trans proline' 0 C--N 1.372 1.775 0 C-N-CA 123.091 2.527 . . . . 74.35 112.112 -174.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -150.52 147.36 27.38 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 124.518 1.127 . . . . 64.44 108.722 -172.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 120' ' ' GLU . . . -90.94 124.18 35.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.762 -0.829 . . . . 72.0 108.762 175.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -113.58 92.15 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 107.435 -1.32 . . . . 54.02 107.435 178.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 22.7 p -84.9 80.55 9.24 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 122.028 0.918 . . . . 72.02 108.655 173.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 152' ' ' ASN . . . . . . . . 0 N--CA 1.474 0.749 0 CA-C-N 113.588 -1.642 . . . . 72.23 107.821 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.67 -0.493 . . . . 70.15 109.67 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.6 127.7 22.47 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 121.88 1.72 . . . . 71.42 110.757 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mt -177.46 -51.65 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.112 0 C-N-CA 125.932 1.693 . . . . 65.23 107.997 -171.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -83.19 33.84 0.53 Allowed 'Trans proline' 0 C--N 1.403 3.403 0 C-N-CA 122.043 1.828 . . . . 75.12 111.814 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 137' ' ' ASP . 33.4 m -61.48 -29.96 47.11 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 C-N-CA 123.902 0.881 . . . . 73.45 110.538 171.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 t -91.48 39.41 1.0 Allowed 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.303 1.041 . . . . 71.43 110.167 173.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 48.73 -158.88 0.06 Allowed 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.06 1.133 . . . . 65.54 114.06 -173.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -112.76 155.43 24.59 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.768 -1.567 . . . . 63.35 106.768 168.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -38.31 -47.46 1.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.875 1.806 . . . . 64.24 115.875 -165.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.11 -52.0 27.13 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.876 0.37 . . . . 71.53 110.925 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -63.76 -28.3 69.78 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.418 -0.81 . . . . 72.21 111.886 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.479 ' O ' HG13 ' A' ' 19' ' ' ILE . 19.8 t90 -72.22 -48.39 43.27 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.796 1.239 . . . . 74.15 109.991 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -63.08 -35.7 81.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.74 0.416 . . . . 63.33 110.567 174.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.15 93.31 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.703 0.401 . . . . 71.22 111.586 170.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 29.9 mmt180 -59.42 -51.04 71.59 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 123.479 0.487 . . . . 72.44 110.459 176.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.49 HG21 HD12 ' A' ' 54' ' ' ILE . 10.3 mt -61.37 -55.34 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 123.781 0.676 . . . . 62.25 110.132 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.97 -56.17 17.99 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.017 0.927 . . . . 73.34 111.587 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -52.98 58.36 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.557 0.536 . . . . 70.43 111.711 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -72.25 -34.05 67.96 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.3 0.64 . . . . 63.42 111.637 -171.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -85.91 -28.71 24.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.668 0.387 . . . . 73.3 110.846 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.04 68.94 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 120.891 0.377 . . . . 72.3 109.993 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.26 -45.25 94.12 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 115.509 -0.769 . . . . 73.35 109.642 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -66.05 -36.36 83.03 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.548 -0.751 . . . . 51.12 110.112 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.24 -44.85 94.04 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.081 0.953 . . . . 53.22 111.279 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.42 -22.34 38.29 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 119.32 -0.371 . . . . 64.4 111.212 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -51.03 -56.22 13.6 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.133 0.973 . . . . 73.22 112.848 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.67 -16.53 61.21 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.384 0.512 . . . . 42.41 112.384 -176.794 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.77 -40.97 15.49 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.952 0.501 . . . . 73.13 111.038 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.5 p -100.89 -56.71 2.26 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 123.224 0.61 . . . . 62.21 111.395 -174.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -66.81 143.9 56.62 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.319 0.581 . . . . 64.24 112.195 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -87.33 -9.36 55.09 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.724 -1.126 . . . . 34.44 111.045 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -62.31 -38.58 89.96 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.05 0.94 . . . . 73.13 112.123 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -154.82 71.89 5.89 Favored Pre-proline 0 N--CA 1.477 0.907 0 N-CA-C 107.61 -1.256 . . . . 62.11 107.61 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -86.27 165.08 9.71 Favored 'Trans proline' 0 C--N 1.368 1.592 0 C-N-CA 122.339 2.026 . . . . 71.11 112.713 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.411 HG13 ' HB2' ' A' ' 30' ' ' LEU . 47.9 mt -78.69 134.91 60.52 Favored Pre-proline 0 CA--C 1.549 0.917 0 N-CA-C 106.815 -1.55 . . . . 73.55 106.815 167.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -39.9 134.24 1.71 Allowed 'Trans proline' 0 C--N 1.387 2.602 0 C-N-CA 123.686 2.924 . . . . 74.43 113.169 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -45.07 -44.7 15.03 Favored 'Trans proline' 0 C--N 1.387 2.56 0 C-N-CA 124.37 3.38 . . . . 72.23 115.362 -164.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.48 -43.36 73.36 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.84 0.456 . . . . 73.05 111.041 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.13 -29.5 64.12 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.053 0.941 . . . . 75.23 111.146 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -68.34 -25.5 65.13 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.751 0.821 . . . . 65.52 111.108 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.81 -35.11 84.48 Favored Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.765 -0.652 . . . . 74.14 111.755 172.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.3 10.09 11.4 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.779 0.832 . . . . 72.31 112.815 176.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -78.53 112.1 15.24 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.959 0.409 . . . . 62.54 110.195 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.05 -34.3 10.13 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.726 0.81 . . . . 61.33 110.184 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.99 147.65 5.11 Favored Glycine 0 C--N 1.342 0.867 0 N-CA-C 110.369 -1.092 . . . . 52.1 110.369 -172.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 30' ' ' LEU . 65.8 mt -73.24 163.05 28.67 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.747 0.784 . . . . 64.52 111.91 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -88.72 117.92 28.04 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.494 -1.669 . . . . 72.5 106.494 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -127.44 150.39 49.67 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 122.837 0.455 . . . . 73.53 109.775 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -87.05 153.69 21.34 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 107.986 -1.116 . . . . 63.31 107.986 165.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -74.09 162.79 28.63 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 108.458 -0.942 . . . . 53.04 108.458 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.49 HD12 HG21 ' A' ' 19' ' ' ILE . 23.9 mm -63.56 112.89 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.199 0.599 . . . . 54.02 110.02 -170.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -103.88 126.81 51.27 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.009 0.523 . . . . 54.24 111.29 -170.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HA ' ' NH2' ' A' ' 59' ' ' ARG . . . -81.62 -32.86 31.76 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.994 0.917 . . . . 61.34 111.99 174.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.8 t -63.98 -32.28 73.76 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.189 0.996 . . . . 73.43 113.222 -166.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.449 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 64.3 m-85 -99.2 27.06 5.37 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.795 0.838 . . . . 74.25 112.075 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.478 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 30.0 ttm180 -97.75 93.71 6.53 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.855 -0.794 . . . . 74.22 108.855 171.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.3 m -100.24 166.62 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 109.501 -0.555 . . . . 74.55 109.501 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.03 122.46 45.25 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.464 -0.939 . . . . 73.11 108.464 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.7 138.65 47.99 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.449 0.7 . . . . 43.14 109.544 -172.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -74.54 125.76 29.32 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.555 -0.906 . . . . 74.15 108.555 175.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -89.89 126.78 35.84 Favored 'General case' 0 C--O 1.247 0.95 0 C-N-CA 124.294 1.038 . . . . 61.45 109.278 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -133.38 106.54 12.11 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.04 0.936 . . . . 75.14 109.003 172.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 74.1 Cg_endo -71.42 158.13 54.87 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.249 1.966 . . . . 72.45 111.229 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.64 103.56 12.24 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.095 -0.706 . . . . 63.21 109.095 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -67.77 -22.23 65.21 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.416 0.687 . . . . 72.44 110.51 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -121.27 82.7 38.66 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 124.518 1.127 . . . . 64.31 108.137 169.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.56 123.64 8.26 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 122.32 2.013 . . . . 70.2 112.207 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -125.12 154.43 41.46 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.714 0.806 . . . . 65.44 109.694 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 84' ' ' GLU . . . -85.46 128.25 34.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.849 -0.797 . . . . 73.13 108.849 174.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.48 152.09 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 108.494 -0.928 . . . . 71.31 108.494 175.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -95.87 121.16 37.32 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.431 -0.581 . . . . 72.44 109.431 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -118.68 118.39 31.5 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 106.822 -1.547 . . . . 74.43 106.822 170.805 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.2 153.4 18.43 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 109.673 -0.491 . . . . 65.35 109.673 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.9 p -107.1 152.52 23.93 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.638 -0.875 . . . . 73.32 108.638 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.0 p -68.85 -19.91 64.27 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.056 0.542 . . . . 74.02 111.294 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -82.67 -23.54 34.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.842 0.857 . . . . 71.11 111.374 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.85 -120.5 1.23 Allowed Glycine 0 C--N 1.351 1.403 0 CA-C-O 118.76 -1.022 . . . . 35.24 113.09 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -48.98 140.98 23.03 Favored 'Trans proline' 0 C--N 1.391 2.774 0 C-N-CA 124.966 3.777 . . . . 62.2 114.054 -170.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.98 161.63 43.35 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.75 2.3 . . . . 71.52 113.485 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.67 129.94 51.88 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 125.187 1.395 . . . . 74.51 108.983 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' HB3' ' HB1' ' A' ' 72' ' ' ALA . 39.6 mt-10 -88.58 126.39 35.26 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.159 0.583 . . . . 50.43 109.745 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.443 ' CD1' HD23 ' A' ' 75' ' ' LEU . 26.6 m-85 -122.76 134.42 54.44 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.257 -1.016 . . . . 71.02 108.257 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 90.2 m -84.18 138.8 32.8 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.336 -0.616 . . . . 73.32 109.336 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -72.58 109.91 6.58 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.121 -1.066 . . . . 72.34 108.121 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -84.3 -46.86 11.35 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.523 0.677 . . . . 74.01 109.971 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -155.28 166.97 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.441 -1.254 . . . . 61.23 109.938 -175.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.6 t -131.07 126.59 59.65 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 N-CA-C 107.126 -1.435 . . . . 72.42 107.126 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 104' ' ' ALA . 2.2 mm? -105.08 125.45 50.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.2 1.0 . . . . 55.34 110.086 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.06 122.61 6.79 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 110.564 -1.014 . . . . 74.11 110.564 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -142.9 -176.4 4.88 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.916 0.858 . . . . 72.04 110.3 -175.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -132.19 156.45 46.42 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.706 0.802 . . . . 53.41 109.317 174.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 tp -169.56 131.53 1.14 Allowed 'General case' 0 C--O 1.251 1.148 0 N-CA-C 108.73 -0.841 . . . . 74.21 108.73 -169.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.01 -102.86 1.2 Allowed Glycine 0 C--N 1.351 1.4 0 N-CA-C 112.106 -0.397 . . . . 34.03 112.106 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -124.46 -1.81 8.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.839 0.855 . . . . 74.45 110.401 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.1 m -130.01 157.18 43.06 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.977 0.894 . . . . 61.03 112.626 -168.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -94.89 119.77 34.0 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 114.032 -1.44 . . . . 72.31 108.264 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -118.97 155.98 30.4 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.61 0.764 . . . . 64.11 109.383 -172.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.4 m -128.11 131.37 49.02 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.019 0.528 . . . . 75.14 110.091 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 mp -121.55 132.02 54.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.104 1.361 . . . . 74.2 108.221 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.6 m -95.25 134.24 38.22 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.067 0.461 . . . . 73.33 110.19 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -98.53 121.87 41.02 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 124.416 1.086 . . . . 72.22 108.912 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -100.82 152.74 20.16 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.758 0.789 . . . . 72.24 112.061 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.436 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 42.0 ttt180 -95.37 118.58 32.36 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 125.781 1.632 . . . . 74.54 108.026 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.2 t -114.69 129.42 70.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 C-N-CA 124.242 1.017 . . . . 54.04 108.611 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -63.24 142.63 58.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.214 0.606 . . . . 65.31 110.807 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.18 -39.18 2.25 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-N 116.277 -0.42 . . . . 64.03 113.288 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -64.57 151.7 43.95 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.233 1.013 . . . . 71.24 110.525 176.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.7 t -109.54 -20.66 12.79 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.833 0.853 . . . . 72.52 109.469 -174.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.4 m -103.91 -179.15 3.87 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.193 0.997 . . . . 42.5 110.062 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.601 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 49.9 mt -102.95 134.89 45.63 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.459 -0.941 . . . . 71.44 108.459 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.48 108.14 20.08 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.09 -1.078 . . . . 73.51 108.09 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 104' ' ' ALA . 61.5 t -109.47 101.73 47.01 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.307 0.643 . . . . 44.34 109.848 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -90.29 123.07 1.01 Allowed 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 123.355 2.703 . . . . 63.32 110.939 167.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.446 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 19.8 p90 -146.46 170.93 15.84 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.466 0.706 . . . . 71.42 109.686 177.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.23 163.43 28.6 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.144 0.497 . . . . 72.11 110.716 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.583 ' HB2' ' H ' ' A' ' 122' ' ' THR . 1.5 m-20 -112.8 -170.73 1.73 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.543 1.137 . . . . 75.44 110.009 -176.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -79.62 -39.84 30.64 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.629 -1.169 . . . . 62.34 108.659 152.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 m -51.16 -42.03 60.55 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.829 1.652 . . . . 74.52 111.876 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.583 ' H ' ' HB2' ' A' ' 119' ' ' ASP . 40.9 p -63.39 -43.76 96.66 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.153 -0.93 . . . . 62.34 111.056 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.6 -20.72 66.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.103 0.961 . . . . 64.55 112.414 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.472 ' HB2' ' HG2' ' A' ' 126' ' ' ARG . 43.0 m-20 -81.54 -8.89 59.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.12 0.568 . . . . 70.11 111.954 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.1 -16.46 28.07 Favored Glycine 0 C--N 1.352 1.451 0 N-CA-C 114.284 0.474 . . . . 52.42 114.284 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.472 ' HG2' ' HB2' ' A' ' 124' ' ' ASP . 26.2 ptt180 -63.35 -21.85 66.52 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.862 0.865 . . . . 71.34 111.862 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 26.9 p -133.44 159.42 40.41 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.679 -0.86 . . . . 73.54 108.679 165.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.75 96.15 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 126.534 1.934 . . . . 64.11 114.553 177.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.454 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 11.7 pt-20 -70.26 -20.75 63.04 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.38 1.072 . . . . 71.22 112.373 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -78.61 -8.19 58.38 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.269 0.628 . . . . 72.5 111.9 176.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 141.52 155.45 6.47 Favored Glycine 0 C--N 1.341 0.832 0 CA-C-N 116.784 -0.189 . . . . 53.3 112.803 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -109.4 145.13 36.63 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.498 1.119 . . . . 75.34 108.28 169.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -111.59 162.94 14.62 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.662 0.385 . . . . 74.03 110.199 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.446 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 1.6 tt -157.72 141.98 16.14 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 107.304 -1.369 . . . . 53.43 107.304 170.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.27 132.68 46.68 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.035 -1.098 . . . . 74.24 108.035 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.403 ' HB ' ' HB2' ' A' ' 113' ' ' LEU . 77.3 t -114.91 122.73 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 109.257 -0.646 . . . . 73.23 109.257 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.479 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 29.4 t70 -78.07 111.76 20.58 Favored Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 108.595 -0.891 . . . . 61.32 108.595 174.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.79 -38.03 25.4 Favored 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 122.481 2.121 . . . . 65.52 112.682 -177.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 55.69 28.96 12.89 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.31 1.044 . . . . 74.4 112.914 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 57.26 44.26 93.4 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 114.056 0.382 . . . . 53.55 114.056 -169.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.07 160.65 28.9 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.667 0.387 . . . . 64.15 110.785 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -138.3 171.67 14.04 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.225 0.61 . . . . 74.51 109.439 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.18 112.58 3.71 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 123.776 0.673 . . . . 65.21 112.28 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 114.44 -17.89 18.33 Favored Glycine 0 N--CA 1.467 0.747 0 CA-C-O 119.659 -0.523 . . . . 65.12 112.794 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -74.71 -179.65 4.26 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 109.29 -0.633 . . . . 71.44 109.29 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -133.84 160.67 36.94 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.108 0.48 . . . . 74.11 110.483 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.64 148.73 28.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 C-N-CA 124.51 1.124 . . . . 55.13 108.245 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.95 112.46 18.36 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.873 -0.417 . . . . 41.21 109.873 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.8 mt -96.59 88.72 4.75 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 124.035 0.934 . . . . 75.13 108.532 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 45.6 t0 -94.9 111.09 22.91 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.75 -0.833 . . . . 73.14 108.75 177.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.506 ' HB3' HG21 ' A' ' 180' ' ' ILE . 44.3 m-85 -72.31 -14.53 61.77 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.972 0.909 . . . . 74.4 111.651 -177.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -57.55 -35.24 70.07 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.801 0.841 . . . . 71.11 111.182 171.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.452 HD11 HG12 ' A' ' 19' ' ' ILE . 3.9 mm? -83.36 10.82 7.79 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.621 0.768 . . . . 74.51 112.403 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -61.64 137.06 58.22 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 112.866 0.691 . . . . 63.51 112.866 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -102.02 177.95 4.75 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 124.716 1.206 . . . . 72.31 111.43 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -133.92 139.37 33.17 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-N 114.033 -1.44 . . . . 73.22 111.458 -162.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.49 138.15 17.17 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 122.782 2.322 . . . . 70.22 110.979 163.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.11 -2.91 46.56 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.852 0.861 . . . . 73.33 111.482 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 26.6 m -61.64 -36.73 81.6 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.774 1.23 . . . . 73.03 112.407 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.87 -9.99 25.14 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.44 1.096 . . . . 61.52 113.307 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -91.89 14.16 16.4 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.312 1.045 . . . . 74.13 111.999 -170.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 108.91 7.05 29.69 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 119.947 -0.363 . . . . 75.5 113.836 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -166.16 118.91 0.83 Allowed Glycine 0 C--N 1.341 0.807 0 N-CA-C 110.63 -0.988 . . . . 60.02 110.63 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 61.6 p -62.46 112.72 2.57 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.492 0.717 . . . . 73.5 112.761 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -92.87 -175.67 3.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.652 0.781 . . . . 62.43 109.462 170.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 23.2 t -90.23 93.39 9.33 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.677 -0.49 . . . . 70.13 109.677 -176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 18.6 p -124.27 135.57 53.5 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 108.283 -1.006 . . . . 75.2 108.283 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.08 119.7 17.68 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.905 0.882 . . . . 75.4 110.614 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.16 126.82 79.06 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.285 1.034 . . . . 62.03 109.365 171.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -63.02 144.88 93.79 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.449 2.099 . . . . 63.42 111.586 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.09 156.13 67.7 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 121.962 1.775 . . . . 75.03 111.457 174.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -55.39 -30.22 59.97 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.002 0.921 . . . . 71.53 113.156 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.17 -23.04 62.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.093 0.557 . . . . 74.11 111.728 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -100.43 11.38 39.57 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.173 0.511 . . . . 75.24 110.618 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -82.72 99.81 9.86 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 107.052 -1.462 . . . . 75.42 107.052 170.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.58 117.02 63.96 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 123.984 0.913 . . . . 62.54 109.895 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -70.53 64.16 2.25 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.995 2.464 . . . . 72.31 112.345 165.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -153.88 147.55 25.23 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 124.586 1.154 . . . . 74.03 108.282 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -94.79 109.77 21.7 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.73 -0.47 . . . . 64.24 109.73 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.4 mp -95.19 101.86 12.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 107.33 -1.359 . . . . 63.33 107.33 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 41.3 p -92.06 62.26 4.17 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.995 0.903 . . . . 74.51 109.359 176.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.56 0 CA-C-N 114.218 -1.355 . . . . 73.51 107.35 174.797 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 CA--C 1.566 1.578 0 N-CA-C 110.649 -0.13 . . . . 65.04 110.649 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.525 ' HG3' ' HA ' ' A' ' 141' ' ' ALA . 98.6 Cg_endo -82.49 139.45 10.22 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 123.684 2.923 . . . . 70.53 111.021 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -178.01 -48.73 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.967 1.307 . . . . 63.02 108.153 -173.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -83.48 31.24 0.52 Allowed 'Trans proline' 0 C--N 1.396 3.03 0 C-N-CA 122.101 1.867 . . . . 71.21 111.893 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.5 m -61.7 -29.08 45.44 Favored 'Isoleucine or valine' 0 C--N 1.359 1.018 0 C-N-CA 124.256 1.022 . . . . 70.44 109.41 171.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 t -93.16 72.18 4.59 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 114.63 -1.168 . . . . 75.1 108.069 166.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -43.01 175.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 125.801 1.64 . . . . 72.31 114.585 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -49.8 139.49 13.12 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 118.505 -0.759 . . . . 72.4 109.919 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -45.52 -34.11 3.09 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 113.457 0.91 . . . . 71.01 113.457 -165.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.09 -57.52 12.49 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.604 0.761 . . . . 72.42 111.274 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -70.24 -33.96 72.27 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.533 0.733 . . . . 74.33 111.608 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -62.19 -53.92 48.33 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.07 0.948 . . . . 75.52 109.447 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HG2' HG21 ' A' ' 54' ' ' ILE . 55.9 mtt180 -69.61 -23.19 63.48 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.658 0.598 . . . . 74.51 111.755 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -43.96 77.04 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 122.884 0.473 . . . . 55.52 112.156 170.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 31.7 mmt180 -63.01 -41.27 99.52 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 109.56 -0.533 . . . . 75.12 109.56 175.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.839 HG23 HD11 ' A' ' 153' ' ' LEU . 85.8 mt -60.78 -44.13 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 124.615 1.166 . . . . 75.52 110.965 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.41 -43.27 93.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.339 0.656 . . . . 70.13 110.924 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.81 -34.7 75.95 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.715 0.634 . . . . 71.33 110.959 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 6.5 t-160 -62.38 -55.43 27.97 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.63 1.172 . . . . 73.2 110.164 176.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.417 ' HD2' HG22 ' A' ' 19' ' ' ILE . 49.0 mtp180 -61.12 -48.27 82.42 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.894 0.877 . . . . 75.32 109.871 -177.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.37 88.54 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 115.25 -0.887 . . . . 72.45 111.306 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.11 -48.4 81.86 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.016 0.822 . . . . 73.11 110.933 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 65.8 mmtt -71.66 -24.69 61.89 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.393 0.433 . . . . 73.44 111.601 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.622 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -73.0 -47.94 40.7 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.265 0.626 . . . . 71.24 111.262 172.646 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.42 ' HA ' ' HB3' ' A' ' 31' ' ' ALA . 13.1 pt-20 -80.38 -12.87 59.53 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.981 0.512 . . . . 71.21 111.478 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 33' ' ' HIS . 83.9 t80 -53.88 -51.63 63.07 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.889 0.876 . . . . 64.45 111.781 177.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.725 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -86.02 -15.85 40.09 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.851 -0.613 . . . . 53.24 112.453 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 28' ' ' GLU . . . -87.38 -56.91 3.15 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.026 0.53 . . . . 71.41 111.549 -171.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.8 t -116.61 -46.31 2.77 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.166 0.587 . . . . 72.12 111.452 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 29' ' ' PHE . 15.5 m170 -47.63 117.66 1.92 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.771 0.828 . . . . 72.24 111.489 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.1 -19.19 4.56 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.897 1.679 . . . . 72.11 114.054 -175.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -60.52 -34.99 74.91 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.174 0.99 . . . . 72.24 113.343 -175.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.585 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 50.1 m -159.43 103.15 1.5 Allowed Pre-proline 0 CA--C 1.547 0.86 0 N-CA-C 108.433 -0.951 . . . . 75.34 108.433 -174.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -74.89 145.76 32.3 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 122.204 1.936 . . . . 64.31 112.421 170.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 tt -88.55 140.65 29.96 Favored Pre-proline 0 CA--C 1.561 1.371 0 N-CA-C 108.639 -0.874 . . . . 75.53 108.639 173.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.39 147.6 56.12 Favored 'Trans proline' 0 C--N 1.383 2.369 0 C-N-CA 122.594 2.196 . . . . 71.51 112.489 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -61.27 -25.68 80.85 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.853 2.369 . . . . 72.24 112.744 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.85 -49.83 74.68 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.447 0.699 . . . . 54.45 111.105 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -77.51 -27.92 51.93 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.349 0.66 . . . . 54.51 110.422 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -64.35 -29.06 70.15 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.742 -0.663 . . . . 65.51 111.123 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.39 -38.65 91.33 Favored Glycine 0 C--N 1.348 1.245 0 N-CA-C 111.442 -0.663 . . . . 75.15 111.442 170.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.51 1.17 30.52 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.955 0.902 . . . . 52.5 112.841 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -78.96 104.35 9.54 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.468 0.651 . . . . 75.23 110.142 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -115.29 -0.0 13.34 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.448 -0.945 . . . . 75.32 108.448 164.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.14 139.14 4.37 Favored Glycine 0 C--N 1.339 0.712 0 N-CA-C 108.742 -1.743 . . . . 74.11 108.742 -166.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.646 HD21 HD21 ' A' ' 30' ' ' LEU . 2.2 mm? -82.36 179.7 7.71 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 109.142 -0.688 . . . . 61.23 109.142 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -72.79 110.38 7.08 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.743 -1.206 . . . . 64.04 107.743 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -111.97 112.97 25.0 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.859 -1.163 . . . . 73.14 107.859 -171.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -74.38 125.72 29.12 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.089 -0.96 . . . . 73.04 109.356 -171.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -90.78 166.65 12.99 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.15 -0.932 . . . . 73.43 110.352 -166.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.475 HD12 HG21 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -69.4 148.97 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 123.654 0.596 . . . . 75.45 110.553 -169.384 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -163.2 109.48 1.15 Allowed 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.76 0.662 . . . . 43.42 109.593 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.56 -22.84 62.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.482 0.713 . . . . 45.41 111.719 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -82.54 -35.68 27.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.289 0.636 . . . . 42.01 110.45 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -85.94 6.38 28.79 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.578 0.751 . . . . 74.45 111.228 173.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -97.13 100.72 12.2 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 106.108 -1.812 . . . . 72.12 106.108 166.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.1 m -101.36 167.75 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 108.984 -0.747 . . . . 74.14 108.984 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.75 115.42 30.11 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.764 -1.199 . . . . 72.12 107.764 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.32 146.59 34.1 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.651 0.78 . . . . 73.53 109.162 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -74.23 118.99 17.83 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.921 -0.77 . . . . 75.45 108.921 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -78.95 106.23 10.84 Favored 'General case' 0 C--O 1.25 1.101 0 N-CA-C 108.643 -0.873 . . . . 73.14 108.643 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -110.83 97.52 34.0 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 107.843 -1.169 . . . . 65.33 107.843 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.668 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 56.1 Cg_endo -66.67 154.67 73.61 Favored 'Trans proline' 0 C--N 1.362 1.257 0 C-N-CA 122.645 2.23 . . . . 70.51 111.477 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.56 112.49 5.39 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 106.69 -1.596 . . . . 61.53 106.69 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -61.47 -16.28 45.57 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.401 0.68 . . . . 64.22 111.865 -171.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -142.97 90.69 7.41 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 107.662 -1.236 . . . . 74.12 107.662 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -62.73 129.14 25.29 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.692 2.261 . . . . 64.41 112.012 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -138.84 160.01 40.75 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.464 0.305 . . . . 73.11 111.634 -168.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.37 108.07 5.29 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.202 -0.908 . . . . 71.53 111.279 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.4 m -106.51 153.68 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.061 0.945 . . . . 74.44 108.718 172.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.76 127.7 53.61 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.203 0.601 . . . . 73.43 109.522 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.421 HD23 ' HD1' ' A' ' 85' ' ' TYR . 2.6 mm? -110.65 118.23 35.63 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.174 -1.047 . . . . 74.1 108.174 174.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -68.26 150.99 47.59 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.776 -0.824 . . . . 64.24 108.776 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.5 p -127.7 167.32 16.61 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.145 -0.687 . . . . 73.54 109.145 -174.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.427 HG23 HD21 ' A' ' 169' ' ' LEU . 19.3 p -87.75 -27.9 22.07 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.645 0.778 . . . . 72.44 110.791 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -72.14 -31.92 66.43 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.914 0.886 . . . . 75.42 111.628 -175.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.58 -123.31 1.19 Allowed Glycine 0 C--N 1.347 1.16 0 CA-C-O 118.382 -1.232 . . . . 62.53 112.075 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.96 149.69 77.45 Favored 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 123.72 2.947 . . . . 74.32 113.833 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.2 158.69 56.4 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.647 2.231 . . . . 74.32 112.72 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -114.05 124.86 53.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.14 0.976 . . . . 74.33 110.13 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -84.91 126.28 33.36 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.76 0.424 . . . . 75.22 110.915 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.537 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 81.0 m-85 -130.07 148.66 51.94 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.452 -0.944 . . . . 74.14 108.452 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.637 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 9.4 m -87.7 114.41 24.28 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 118.274 -0.869 . . . . 63.21 109.304 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -66.52 111.19 3.47 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 119.967 1.258 . . . . 73.22 109.222 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -97.09 -33.15 11.63 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.522 0.729 . . . . 63.51 111.328 -172.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.668 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -153.93 170.13 21.77 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.48 0.548 . . . . 75.32 112.48 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.531 HG12 HG22 ' A' ' 101' ' ' THR . 0.2 OUTLIER -139.16 124.81 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 N-CA-C 106.298 -1.741 . . . . 72.4 106.298 168.576 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 101' ' ' THR . 2.7 mm? -100.83 121.1 41.12 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.305 0.642 . . . . 74.41 110.516 -173.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.17 117.44 5.87 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 111.679 -0.568 . . . . 71.44 111.679 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.657 ' HE2' ' HB2' ' A' ' 102' ' ' LEU . 48.1 p90 -144.54 -174.11 4.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.773 0.829 . . . . 73.55 109.206 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 9.1 p-10 -132.25 145.38 51.27 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.883 0.873 . . . . 74.12 109.497 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.512 HD13 HD11 ' A' ' 180' ' ' ILE . 29.1 mt -154.77 129.95 9.62 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.65 1.18 . . . . 74.42 108.907 178.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.07 -107.03 1.77 Allowed Glycine 0 C--N 1.348 1.244 0 O-C-N 123.248 0.343 . . . . 64.23 112.95 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -103.81 -17.96 14.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.096 0.959 . . . . 74.25 111.438 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.6 m -120.51 139.7 52.52 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.457 0.54 . . . . 44.43 112.457 -165.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 9.0 p80 -83.77 129.66 34.94 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 106.809 -1.552 . . . . 71.31 106.809 163.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -133.45 147.96 51.72 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.82 0.448 . . . . 65.23 109.811 -170.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.531 HG22 HG12 ' A' ' 90' ' ' VAL . 2.4 m -121.55 122.23 39.21 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 108.042 -1.096 . . . . 74.21 108.042 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.657 ' HB2' ' HE2' ' A' ' 93' ' ' PHE . 10.2 tp -112.31 127.56 56.03 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.056 0.942 . . . . 72.23 109.136 -165.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.9 m -84.82 122.83 29.71 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.287 0.494 . . . . 62.12 110.535 -170.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.569 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -103.01 123.4 46.55 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.685 1.194 . . . . 51.31 109.279 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 34.2 m-85 -99.16 171.16 8.18 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 123.653 0.781 . . . . 74.31 109.586 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.637 ' HB3' ' HB ' ' A' ' 86' ' ' THR . 33.0 ttm180 -117.96 125.75 51.01 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 124.41 1.084 . . . . 72.51 108.439 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.632 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 21.4 t -98.78 121.19 49.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 107.752 -1.203 . . . . 71.1 107.752 173.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.29 126.96 29.8 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 123.69 0.619 . . . . 71.1 110.316 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.3 -27.61 8.31 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 116.125 -0.489 . . . . 71.21 113.106 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.632 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 10.7 tp10 -96.78 122.76 40.09 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.333 0.653 . . . . 73.22 109.713 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.1 m -67.58 -17.53 64.66 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.178 0.991 . . . . 72.13 112.851 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.456 ' HB3' ' HB2' ' A' ' 135' ' ' ASP . 73.2 m -93.69 147.6 22.88 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.531 0.681 . . . . 52.01 111.417 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 78.9 mt -84.66 132.72 34.45 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.128 1.371 . . . . 75.25 109.974 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.37 112.63 23.1 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.037 -1.098 . . . . 74.3 108.037 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 104' ' ' ALA . 14.9 t -118.65 86.28 29.12 Favored Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 123.306 0.642 . . . . 64.43 109.437 177.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -75.54 122.57 7.02 Favored 'Trans proline' 0 C--N 1.367 1.545 0 C-N-CA 121.682 1.588 . . . . 75.21 109.01 166.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -140.64 172.96 11.97 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.618 0.367 . . . . 50.31 110.615 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.457 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.9 p -133.83 164.14 27.93 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.56 0.744 . . . . 74.41 109.62 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.455 ' HB3' HD13 ' A' ' 180' ' ' ILE . 1.2 p30 -151.62 -179.27 7.27 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.915 0.886 . . . . 74.12 110.382 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -66.35 -25.9 67.03 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.871 0.367 . . . . 71.34 110.722 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.535 HG21 ' HB ' ' A' ' 181' ' ' THR . 11.2 m -75.47 -28.01 59.08 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.31 1.044 . . . . 74.45 111.224 -176.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.63 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 73.0 p -68.35 -36.8 79.77 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 120.882 0.372 . . . . 65.4 110.133 175.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.81 -34.63 78.24 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.406 -0.815 . . . . 72.11 110.967 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.37 -15.24 58.2 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.219 0.608 . . . . 73.13 110.95 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.48 32.32 25.32 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 116.389 -0.369 . . . . 75.44 113.206 177.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.464 ' HB2' HG22 ' A' ' 121' ' ' THR . 34.2 mmt-85 -104.51 -45.46 4.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.04 -0.726 . . . . 74.52 109.04 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.2 p -101.83 163.42 12.26 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 108.216 -1.031 . . . . 44.12 108.216 161.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -72.99 126.49 30.06 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.421 0.288 . . . . 72.21 111.556 -168.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.63 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 10.2 pt-20 -64.67 -37.73 88.58 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 114.08 1.141 . . . . 55.12 114.08 -168.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -72.68 -9.93 59.2 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.661 0.385 . . . . 64.43 111.77 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.62 168.9 12.92 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 111.458 -0.657 . . . . 52.41 111.458 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -140.19 143.45 36.09 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.472 0.709 . . . . 63.22 109.107 167.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -91.56 137.4 32.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.834 0.454 . . . . 73.43 110.257 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.469 HD22 HG22 ' A' ' 136' ' ' VAL . 2.5 tt -133.61 119.26 19.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.469 -2.049 . . . . 63.34 105.469 168.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.534 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 3.4 p-10 -102.79 110.72 22.74 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.625 0.726 . . . . 72.52 109.261 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.469 HG22 HD22 ' A' ' 134' ' ' LEU . 39.3 t -95.75 134.01 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 114.638 -1.165 . . . . 73.33 110.258 -171.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.53 114.64 49.26 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 108.978 -0.749 . . . . 71.45 108.978 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.56 -34.73 8.93 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.355 2.037 . . . . 65.01 111.763 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 50.36 44.04 26.68 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.233 1.013 . . . . 45.35 112.236 -175.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.8 46.6 54.47 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 115.563 -0.744 . . . . 73.34 114.488 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.525 ' HA ' ' HG3' ' A' ' 5' ' ' PRO . . . -76.21 165.17 25.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.509 0.559 . . . . 72.31 112.509 177.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -141.12 169.83 16.87 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.39 0.676 . . . . 73.25 110.355 -174.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 66' ' ' PRO . . . -60.23 112.6 4.63 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 124.0 0.809 . . . . 71.5 114.183 -173.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 99.73 3.67 56.04 Favored Glycine 0 C--N 1.339 0.701 0 O-C-N 124.17 0.571 . . . . 64.02 113.129 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -84.44 -175.46 5.8 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 108.829 -0.804 . . . . 73.25 108.829 166.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -137.7 150.59 47.45 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.306 0.574 . . . . 75.41 110.97 173.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.78 160.39 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.501 1.12 . . . . 74.41 109.286 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.9 114.93 20.84 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 123.04 0.536 . . . . 74.13 110.69 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.31 87.54 5.67 Favored 'General case' 0 C--O 1.246 0.902 0 C-N-CA 123.917 0.887 . . . . 74.31 109.113 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.536 ' HB3' HD23 ' A' ' 153' ' ' LEU . 4.3 m-20 -74.85 93.81 2.69 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.804 -1.089 . . . . 62.14 109.792 169.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.559 ' HB3' HG21 ' A' ' 180' ' ' ILE . 26.4 m-85 -71.86 -18.61 62.05 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.219 0.608 . . . . 75.12 110.843 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -75.63 -4.56 40.84 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.051 0.94 . . . . 71.14 111.32 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.839 HD11 HG23 ' A' ' 19' ' ' ILE . 4.1 mm? -105.55 5.06 31.06 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.093 0.957 . . . . 65.44 111.592 172.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -81.62 106.1 13.29 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.731 -0.47 . . . . 74.5 109.731 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -100.44 176.71 5.26 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.147 0.979 . . . . 74.31 110.162 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -94.9 151.99 39.33 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 122.977 0.511 . . . . 74.01 110.203 -174.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -59.47 149.07 84.09 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 123.296 2.664 . . . . 74.31 112.957 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -80.53 -18.45 48.44 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.488 -0.778 . . . . 73.31 111.325 -177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 43.6 t -59.35 -23.83 62.85 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.429 0.692 . . . . 73.13 111.323 172.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -56.28 -27.5 55.56 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 123.807 0.843 . . . . 74.11 112.269 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -85.55 19.12 2.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.302 0.641 . . . . 72.51 110.943 -172.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 102.92 -62.11 0.46 Allowed Glycine 0 C--N 1.348 1.215 0 O-C-N 122.282 -0.261 . . . . 71.13 112.78 163.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.55 30.37 2.31 Favored Glycine 0 N--CA 1.47 0.928 0 N-CA-C 113.66 0.224 . . . . 74.41 113.66 -175.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 18.7 t -81.46 -178.84 7.12 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 109.28 -0.637 . . . . 43.55 109.28 168.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -77.56 -174.16 3.27 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 113.23 0.826 . . . . 71.24 113.23 -170.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 93.6 p -67.43 146.15 54.31 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.657 1.183 . . . . 73.03 113.165 -167.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.9 p -118.64 125.29 49.43 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.825 -0.806 . . . . 64.11 108.825 173.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -69.51 106.41 2.98 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.76 0.824 . . . . 52.11 109.646 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.427 HD21 HG23 ' A' ' 78' ' ' THR . 89.7 mt -64.16 127.52 92.04 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.384 0.674 . . . . 74.41 109.547 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.457 ' HG3' HG23 ' A' ' 118' ' ' THR . 20.5 Cg_endo -59.64 140.3 93.04 Favored 'Trans proline' 0 C--N 1.373 1.848 0 C-N-CA 123.179 2.586 . . . . 53.44 112.562 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.42 162.5 23.76 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.046 1.831 . . . . 75.3 111.305 166.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -54.7 -30.68 56.48 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.401 0.68 . . . . 71.51 111.71 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.29 -22.24 66.88 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.619 1.168 . . . . 72.03 112.065 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.5 ' HA ' HD12 ' A' ' 102' ' ' LEU . 3.7 m-20 -102.36 6.02 40.09 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.58 0.752 . . . . 72.12 111.73 -177.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -84.93 102.16 12.91 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.199 -0.667 . . . . 65.41 109.199 171.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 32.3 t -76.49 126.77 85.79 Favored Pre-proline 0 CA--C 1.55 0.947 0 N-CA-C 108.729 -0.841 . . . . 74.12 108.729 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -81.61 32.07 0.52 Allowed 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.046 2.498 . . . . 71.22 112.93 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -134.25 151.88 51.52 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.285 1.034 . . . . 63.13 108.683 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.93 123.16 29.15 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.219 0.608 . . . . 44.31 109.929 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.3 mp -114.45 104.35 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 107.253 -1.388 . . . . 74.24 107.253 173.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' THR . . . . . 0.535 ' HB ' HG21 ' A' ' 121' ' ' THR . 1.3 t -132.9 94.94 3.47 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.472 0.653 . . . . 61.12 110.423 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.605 0 N-CA-C 106.599 -1.63 . . . . 73.51 106.599 165.757 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.437 HG13 ' HD2' ' A' ' 5' ' ' PRO . 2.8 tp . . . . . 0 CA--C 1.562 1.43 0 N-CA-C 107.296 -1.372 . . . . 75.54 107.296 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 4' ' ' ILE . 57.0 Cg_endo -72.11 128.28 13.74 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 121.358 1.372 . . . . 73.21 110.882 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mt 179.6 -53.28 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 125.555 1.542 . . . . 64.01 107.85 -176.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -81.12 37.35 0.68 Allowed 'Trans proline' 0 C--N 1.405 3.531 0 C-N-CA 122.16 1.906 . . . . 62.12 112.423 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 137' ' ' ASP . 32.9 m -64.93 -32.21 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 N-CA-C 108.424 -0.954 . . . . 71.22 108.424 164.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -93.27 97.56 10.7 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 105.435 -2.061 . . . . 72.42 105.435 159.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -83.34 -164.23 0.86 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.664 -1.273 . . . . 65.34 111.475 -164.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t -48.03 122.86 5.52 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.726 1.21 . . . . 74.01 110.522 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.557 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 4.9 p-10 -56.71 -22.67 36.77 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 115.11 1.522 . . . . 65.23 115.11 -160.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -68.63 -50.45 51.26 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.22 0.464 . . . . 74.41 110.95 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.27 -23.59 51.17 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.132 0.573 . . . . 65.01 111.04 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.574 ' O ' HG13 ' A' ' 19' ' ' ILE . 27.7 t90 -69.92 -46.01 66.29 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 108.963 -0.754 . . . . 63.34 108.963 173.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -69.48 -30.95 68.95 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.037 0.535 . . . . 71.45 110.714 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.98 89.43 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.116 0.566 . . . . 70.43 110.771 168.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -64.69 -38.96 92.77 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 122.952 0.501 . . . . 63.4 110.724 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.575 HG12 HD11 ' A' ' 153' ' ' LEU . 27.9 mt -65.03 -49.95 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 109.493 -0.558 . . . . 62.22 109.493 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.45 94.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.679 -1.146 . . . . 71.2 111.24 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.89 50.9 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.49 0.716 . . . . 64.21 112.03 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -62.47 -47.47 83.89 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.574 0.75 . . . . 74.54 109.227 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -61.35 -45.27 95.09 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.852 0.72 . . . . 75.5 110.379 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.8 -42.05 88.17 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.706 0.629 . . . . 75.54 110.577 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.79 -50.53 66.4 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 124.299 0.999 . . . . 63.34 110.073 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 16.0 mmmt -72.96 -17.74 61.44 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 123.518 0.511 . . . . 70.15 111.192 -174.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -80.73 -48.65 12.24 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.116 0.966 . . . . 63.34 109.929 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.74 -15.25 58.67 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.605 -0.725 . . . . 70.24 110.449 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -50.35 -53.47 28.75 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.188 1.395 . . . . 71.25 112.161 -176.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.695 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -82.52 -17.43 45.05 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.389 -0.823 . . . . 63.34 111.331 -174.279 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.05 -32.35 21.46 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.293 0.637 . . . . 72.04 111.424 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.1 p -126.57 -60.08 1.26 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.092 0.557 . . . . 75.52 111.704 -176.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -55.77 124.08 16.32 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 123.942 0.776 . . . . 72.3 111.21 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.29 -17.76 64.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.574 1.15 . . . . 73.54 113.082 -168.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.24 -27.5 69.39 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.503 0.927 . . . . 74.44 113.503 -171.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.2 m -155.9 76.01 4.84 Favored Pre-proline 0 N--CA 1.483 1.179 0 O-C-N 121.969 -0.457 . . . . 62.0 110.064 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -65.14 130.4 25.52 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.562 2.175 . . . . 73.31 112.725 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.695 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 17.3 tt -72.56 144.78 86.68 Favored Pre-proline 0 N--CA 1.488 1.465 0 C-N-CA 124.814 1.246 . . . . 62.33 109.406 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -36.87 124.77 0.42 Allowed 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 123.576 2.851 . . . . 73.14 113.906 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.53 -28.62 65.62 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.745 2.963 . . . . 73.11 114.271 -171.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.73 92.92 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.852 0.461 . . . . 74.41 111.0 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -76.51 -37.09 57.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.197 0.599 . . . . 62.42 109.923 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.501 ' HB2' HG23 ' A' ' 38' ' ' ILE . 76.3 ttt180 -64.19 -31.26 72.39 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.459 0.704 . . . . 72.22 111.706 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.3 -44.95 96.94 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 112.241 -0.344 . . . . 43.12 112.241 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.63 22.38 3.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.904 0.881 . . . . 73.3 112.009 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.31 124.96 29.79 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 109.436 -0.579 . . . . 72.11 109.436 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -124.53 -32.01 3.18 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.372 1.069 . . . . 64.41 108.66 166.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.26 117.8 0.84 Allowed Glycine 0 C--N 1.338 0.676 0 N-CA-C 108.773 -1.731 . . . . 60.41 108.773 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.78 -175.93 1.21 Allowed 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.653 0.74 . . . . 62.41 111.622 -174.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.489 ' HD3' ' H ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -101.04 153.53 19.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.205 -0.907 . . . . 74.1 110.326 -168.535 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -153.39 128.64 9.79 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.865 0.866 . . . . 65.24 109.034 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -58.9 153.63 16.88 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.418 0.687 . . . . 51.04 111.674 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -74.29 158.69 33.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.216 0.606 . . . . 62.21 111.205 -176.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.565 HD12 HG21 ' A' ' 19' ' ' ILE . 13.4 mm -71.28 114.56 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.273 -0.876 . . . . 74.53 110.482 -170.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -115.12 113.96 24.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.355 0.662 . . . . 70.23 109.229 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.57 -6.37 43.59 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.785 0.834 . . . . 74.43 110.878 171.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.5 m -65.87 -36.82 84.5 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.537 1.135 . . . . 63.24 111.294 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 89.9 m-85 -85.13 7.31 22.17 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.011 0.924 . . . . 74.41 112.39 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 55.8 ttp180 -96.93 93.3 6.55 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.344 -0.984 . . . . 74.24 108.344 178.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.01 161.54 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 109.593 -0.521 . . . . 74.13 109.593 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.33 127.77 46.55 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.157 -1.053 . . . . 74.14 108.157 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.52 137.99 52.19 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.138 0.975 . . . . 64.34 109.277 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 92' ' ' GLY . 8.5 ptp85 -75.25 125.17 28.41 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 109.416 -0.586 . . . . 72.22 109.416 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -85.96 127.85 34.72 Favored 'General case' 0 C--O 1.251 1.147 0 C-N-CA 124.572 1.149 . . . . 73.15 109.273 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 24.2 tt0 -132.99 109.81 12.91 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 108.418 -0.956 . . . . 73.22 108.418 169.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.68 149.74 83.79 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.105 1.87 . . . . 74.44 110.201 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 110.99 2.48 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.515 -0.55 . . . . 74.24 109.515 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -56.65 -23.17 39.59 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.829 0.852 . . . . 42.21 112.644 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -141.56 97.72 6.63 Favored Pre-proline 0 CA--C 1.547 0.838 0 N-CA-C 109.037 -0.727 . . . . 54.22 109.037 163.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -66.11 121.25 8.53 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.373 2.048 . . . . 71.31 111.012 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -129.23 145.33 51.36 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.472 0.709 . . . . 74.53 110.722 -172.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.28 108.38 15.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.608 0.763 . . . . 41.53 109.643 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 19.5 m -106.78 160.39 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.517 1.127 . . . . 61.11 109.712 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -108.19 113.15 26.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.228 0.611 . . . . 61.03 109.411 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -98.91 128.0 44.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.101 -1.444 . . . . 73.14 107.101 174.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -60.8 144.21 53.02 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.122 -0.696 . . . . 71.12 109.122 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.4 p -116.62 164.28 14.84 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 118.388 0.54 . . . . 72.05 110.459 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.1 p -82.0 -23.96 35.7 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.939 0.896 . . . . 44.22 110.701 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -73.1 -31.07 64.1 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.443 0.697 . . . . 70.43 111.796 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.58 -121.4 1.28 Allowed Glycine 0 C--N 1.342 0.881 0 CA-C-O 118.62 -1.1 . . . . 34.5 111.558 -173.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 12.6 Cg_endo -52.26 141.86 48.19 Favored 'Trans proline' 0 C--N 1.385 2.49 0 C-N-CA 124.144 3.229 . . . . 75.32 113.676 -175.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 29.3 Cg_exo -61.65 149.55 89.39 Favored 'Trans proline' 0 C--N 1.384 2.423 0 C-N-CA 123.001 2.468 . . . . 72.43 112.975 -178.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.97 138.3 43.39 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.327 1.051 . . . . 71.22 109.956 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 9.5 pt-20 -85.18 124.02 31.35 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.626 0.579 . . . . 72.42 110.312 177.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.512 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.4 m-85 -128.95 134.36 48.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.346 1.058 . . . . 75.45 108.985 174.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.5 m -85.04 129.85 34.72 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.204 -0.665 . . . . 71.45 109.204 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -68.28 110.18 3.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.964 0.505 . . . . 63.42 109.869 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.41 -50.93 8.87 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 123.419 0.688 . . . . 70.21 111.067 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.87 175.58 13.76 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.88 -1.054 . . . . 73.2 110.48 -172.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.3 t -135.98 124.01 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 125.751 1.62 . . . . 60.42 107.027 172.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.73 135.26 44.7 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.894 0.877 . . . . 74.25 109.709 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 63' ' ' ARG . . . -120.55 139.46 13.6 Favored Glycine 0 N--CA 1.469 0.856 0 N-CA-C 110.884 -0.886 . . . . 72.53 110.884 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.406 ' HE2' HD12 ' A' ' 95' ' ' LEU . 25.8 p90 -163.73 156.19 17.71 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.786 0.793 . . . . 72.12 110.117 -175.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -93.44 158.31 15.78 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 109.426 -0.583 . . . . 74.51 109.426 172.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.406 HD12 ' HE2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -163.65 132.03 3.72 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 106.254 -1.758 . . . . 74.13 106.254 178.655 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.92 -101.63 1.58 Allowed Glycine 0 C--N 1.351 1.376 0 N-CA-C 111.215 -0.754 . . . . 62.45 111.215 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -131.86 7.21 4.37 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.278 1.031 . . . . 55.13 109.488 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 m -131.84 151.68 51.52 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 121.194 0.521 . . . . 73.31 112.179 -163.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -90.64 138.53 31.5 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.106 -0.952 . . . . 72.32 109.024 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -137.12 137.58 39.41 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.639 1.175 . . . . 72.33 109.314 -171.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.4 m -129.11 121.87 28.7 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.106 0.562 . . . . 44.53 109.52 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.417 ' HA ' ' ND2' ' A' ' 174' ' ' ASN . 6.1 mp -113.44 143.65 44.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.101 1.36 . . . . 72.44 109.093 -176.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.7 m -97.22 132.48 42.94 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 121.057 0.456 . . . . 51.0 109.939 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.93 126.53 47.57 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.739 1.215 . . . . 60.51 108.763 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.512 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 52.0 m-85 -101.75 168.4 9.47 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 123.81 0.844 . . . . 41.5 109.627 175.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.463 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 39.4 ttm180 -113.09 117.55 32.28 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.47 1.108 . . . . 70.23 108.786 -172.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -103.58 108.4 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.811 -1.551 . . . . 74.52 106.811 171.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -72.06 150.25 44.11 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.035 0.445 . . . . 72.42 110.414 -177.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.75 -38.35 3.12 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 114.752 -1.113 . . . . 70.21 111.769 -167.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.57 124.57 35.84 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.899 1.28 . . . . 72.12 109.485 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.9 t -75.14 -13.38 60.46 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.11 0.964 . . . . 63.54 112.539 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.2 m -92.68 140.85 29.1 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.542 0.737 . . . . 70.2 109.758 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.486 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 64.8 mt -81.58 146.34 30.17 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.984 0.914 . . . . 74.54 109.661 177.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.84 103.25 13.42 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.103 0.961 . . . . 63.1 108.449 -176.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.72 100.53 14.65 Favored Pre-proline 0 N--CA 1.473 0.695 0 N-CA-C 109.218 -0.66 . . . . 74.31 109.218 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -88.33 132.39 2.64 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 123.004 2.469 . . . . 74.42 110.963 172.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -155.69 168.81 25.97 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.833 0.853 . . . . 74.24 110.049 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.8 p -131.71 167.1 20.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.055 0.942 . . . . 50.01 108.615 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 1.9 p30 -147.56 -167.95 2.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.638 0.775 . . . . 51.1 110.303 -177.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.69 -33.5 53.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.776 0.43 . . . . 72.24 111.217 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.2 m -69.98 -32.26 70.38 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 123.756 0.823 . . . . 72.5 110.291 -175.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.1 p -68.5 -35.04 76.95 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.674 0.79 . . . . 64.45 111.501 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.36 -37.25 82.68 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.417 0.687 . . . . 71.2 111.807 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.402 ' HB2' ' HG2' ' A' ' 126' ' ' ARG . 13.0 m-20 -67.54 -13.02 61.69 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.265 0.626 . . . . 73.3 111.968 178.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.63 18.83 80.03 Favored Glycine 0 C--N 1.344 0.981 0 O-C-N 123.271 0.357 . . . . 44.1 113.628 -176.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HG2' ' HB2' ' A' ' 124' ' ' ASP . 13.3 ptm180 -101.11 -20.53 15.29 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.283 0.633 . . . . 74.5 109.989 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 19.1 p -122.2 -179.29 4.12 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 109.011 -0.737 . . . . 73.03 109.011 159.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.05 101.9 0.74 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.597 1.159 . . . . 75.22 111.384 -162.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -63.75 -31.24 72.35 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.72 0.408 . . . . 63.23 111.537 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -75.22 -14.23 60.51 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.368 0.667 . . . . 71.24 111.718 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 133.33 153.15 7.05 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 112.031 -0.428 . . . . 61.51 112.031 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -116.48 140.59 49.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.22 -1.4 . . . . 65.42 107.22 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.584 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 97.3 m-85 -103.2 168.77 8.96 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 118.502 0.592 . . . . 71.54 110.446 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.459 HD13 HD22 ' A' ' 149' ' ' LEU . 0.8 OUTLIER -143.64 130.78 20.69 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 107.88 -1.156 . . . . 63.25 107.88 169.59 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -95.07 100.67 12.46 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 107.635 -1.246 . . . . 70.34 107.635 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.9 t -109.47 117.03 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 115.422 -0.808 . . . . 74.33 109.414 -169.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.461 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 30.7 t70 -80.22 118.44 72.41 Favored Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 108.179 -1.045 . . . . 71.2 108.179 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.486 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 41.5 Cg_endo -66.09 -32.91 42.54 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.22 1.947 . . . . 74.11 111.86 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.32 40.59 26.68 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.228 1.011 . . . . 74.34 112.069 -175.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.98 43.91 55.84 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 116.137 -0.483 . . . . 75.42 114.197 -173.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.41 161.08 28.97 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.148 0.579 . . . . 53.32 111.773 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -129.62 166.53 19.56 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.867 1.267 . . . . 75.11 108.782 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 65' ' ' GLN . . . -60.35 114.56 6.6 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 111.725 -0.55 . . . . 63.15 111.725 177.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 115.85 -16.47 16.05 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-O 119.669 -0.517 . . . . 63.4 112.416 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -78.54 -174.39 3.81 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 117.514 0.657 . . . . 64.21 109.913 173.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -135.69 154.09 51.39 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.173 0.589 . . . . 73.43 110.105 173.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 20.4 m -137.54 153.53 28.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 125.604 1.562 . . . . 73.11 107.403 173.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.55 129.02 34.26 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.504 0.322 . . . . 71.32 111.324 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.459 HD22 HD13 ' A' ' 134' ' ' LEU . 15.6 mt -104.67 87.43 2.68 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 124.455 1.102 . . . . 73.13 108.611 168.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.496 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 5.1 p30 -94.18 102.34 14.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.609 -1.178 . . . . 73.51 109.519 176.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.564 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 26.7 m-85 -70.52 -16.39 62.89 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 114.882 -1.054 . . . . 75.12 111.641 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.463 HD22 HD22 ' A' ' 153' ' ' LEU . 9.4 t30 -62.4 -38.45 89.7 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.136 0.575 . . . . 72.33 110.212 172.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.575 HD11 HG12 ' A' ' 19' ' ' ILE . 4.3 mm? -79.15 -6.23 56.03 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.049 0.94 . . . . 73.31 112.301 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.4 140.15 1.76 Allowed 'General case' 0 N--CA 1.48 1.036 0 O-C-N 124.879 1.362 . . . . 43.33 113.522 -171.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.584 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 88.4 t80 -96.2 138.66 33.48 Favored 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.192 -0.913 . . . . 73.35 109.27 -170.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -98.27 121.45 56.95 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 113.868 -1.514 . . . . 73.24 110.824 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' PRO . . . . . 0.448 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 47.4 Cg_endo -67.34 137.98 45.11 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.378 2.052 . . . . 70.34 110.372 164.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -80.59 -3.19 49.41 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.384 0.673 . . . . 74.22 112.639 -174.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 157' ' ' PRO . 25.6 p -62.44 -30.99 71.63 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 123.879 0.737 . . . . 61.04 110.075 169.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.8 -23.73 66.09 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 123.982 0.913 . . . . 65.24 112.549 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -92.45 1.62 57.14 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.282 1.033 . . . . 61.42 111.206 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.56 -32.71 6.69 Favored Glycine 0 C--N 1.353 1.512 0 N-CA-C 112.445 -0.262 . . . . 54.43 112.445 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -62.42 116.05 8.84 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 111.48 -0.648 . . . . 63.34 111.48 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 19.8 m -96.01 79.48 3.24 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.462 0.649 . . . . 71.41 109.359 -166.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -114.15 178.47 4.27 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 115.312 -0.858 . . . . 73.23 110.34 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 36.3 p -69.98 103.64 2.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.724 0.809 . . . . 72.03 111.976 -173.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 24.5 t -111.48 114.39 27.46 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.776 -1.194 . . . . 64.51 107.776 169.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.23 106.05 4.9 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.817 0.847 . . . . 73.35 109.817 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 57.8 mt -57.91 128.91 81.58 Favored Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 124.398 1.079 . . . . 74.22 109.837 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.92 158.36 57.69 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.878 2.386 . . . . 63.44 112.931 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -62.73 148.73 93.02 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.639 2.226 . . . . 71.3 112.234 167.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -57.05 -29.19 63.21 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.78 1.232 . . . . 71.01 113.191 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.29 -22.46 64.72 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.406 0.682 . . . . 73.35 111.341 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 102' ' ' LEU . 10.1 m120 -95.45 18.79 11.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.563 0.697 . . . . 53.4 110.347 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -86.72 109.01 18.93 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 107.316 -1.364 . . . . 72.1 107.316 169.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 58.1 t -87.47 112.31 47.42 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 124.685 1.194 . . . . 72.2 108.755 176.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -65.99 71.62 0.37 Allowed 'Trans proline' 0 C--N 1.371 1.758 0 C-N-CA 122.609 2.206 . . . . 73.01 112.414 166.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -155.21 148.77 25.22 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.338 1.455 . . . . 44.21 108.225 175.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -87.6 114.35 24.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.241 0.616 . . . . 74.3 109.645 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 151' ' ' PHE . 2.9 mp -107.06 96.15 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 N-CA-C 108.244 -1.021 . . . . 74.01 108.244 174.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 24.3 p -97.14 79.05 2.8 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.667 0.787 . . . . 62.21 109.961 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 C-N-CA 124.388 1.075 . . . . 31.21 108.465 173.171 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 tt . . . . . 0 CA--C 1.57 1.748 0 N-CA-C 109.421 -0.585 . . . . 52.41 109.421 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -77.83 126.47 8.06 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.188 1.926 . . . . 70.54 110.051 170.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -177.34 -54.94 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 126.384 1.873 . . . . 74.13 107.538 -171.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -84.52 35.98 0.56 Allowed 'Trans proline' 0 C--N 1.393 2.918 0 C-N-CA 122.285 1.99 . . . . 64.12 112.142 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 m -73.15 67.15 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 CA-C-O 123.877 1.799 . . . . 72.24 110.262 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t 171.52 103.69 0.01 OUTLIER 'General case' 0 C--O 1.241 0.655 0 CA-C-N 110.321 -3.127 . . . . 73.02 108.104 -173.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -40.91 148.04 0.11 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.792 0.837 . . . . 74.15 112.693 161.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 t -45.68 138.42 4.64 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 123.856 0.862 . . . . 74.12 110.183 171.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -49.78 -30.85 10.33 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 115.921 1.823 . . . . 63.44 115.921 -157.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -73.94 -43.33 58.64 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.695 0.398 . . . . 74.13 110.261 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -30.94 68.95 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.685 0.794 . . . . 54.3 110.965 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.555 ' O ' HG13 ' A' ' 19' ' ' ILE . 39.4 t90 -67.65 -50.21 59.03 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.753 0.821 . . . . 63.12 109.415 176.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.5 ttp85 -63.26 -35.87 81.78 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.921 0.488 . . . . 74.33 110.228 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.64 88.26 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.677 0.791 . . . . 53.1 111.248 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -66.34 -32.75 74.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.576 0.75 . . . . 75.42 111.208 174.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.65 HG12 HD11 ' A' ' 153' ' ' LEU . 46.4 mt -73.76 -43.34 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 122.571 0.348 . . . . 74.2 110.674 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.17 -32.95 74.9 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.781 0.676 . . . . 73.44 110.655 173.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.01 -36.28 69.66 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.261 0.624 . . . . 74.33 111.109 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.437 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 8.1 m80 -71.82 -32.4 67.53 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.383 0.673 . . . . 62.31 110.172 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -67.34 -50.53 59.6 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.852 -0.796 . . . . 64.23 108.852 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.21 91.05 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.647 1.217 . . . . 74.44 111.063 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.44 -58.99 5.86 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.488 1.115 . . . . 74.11 111.441 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 63.5 mmtt -61.28 -43.1 99.43 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.197 0.311 . . . . 62.23 110.235 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -50.41 -55.26 16.57 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.638 1.175 . . . . 64.22 111.293 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -77.52 -27.61 51.76 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.527 -0.76 . . . . 75.1 111.229 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -56.91 -69.43 0.16 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 124.024 0.93 . . . . 75.12 111.2 -173.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.551 HD21 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.22 -10.18 59.5 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.191 0.441 . . . . 75.05 112.191 -177.572 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.46 -26.81 26.09 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 122.747 0.419 . . . . 64.3 111.206 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -113.52 -53.01 2.73 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 112.535 0.569 . . . . 61.23 112.535 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 135.87 57.79 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.471 0.708 . . . . 74.04 111.794 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.55 -16.95 37.74 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.538 0.94 . . . . 72.41 113.538 -173.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -69.92 -30.91 68.43 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 112.604 0.594 . . . . 72.12 112.604 -172.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.3 m -157.21 68.12 4.17 Favored Pre-proline 0 N--CA 1.486 1.372 0 N-CA-C 108.156 -1.053 . . . . 62.3 108.156 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -90.18 169.35 4.24 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 123.405 2.737 . . . . 64.02 113.264 -176.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.4 HD11 HD23 ' A' ' 30' ' ' LEU . 42.6 mt -73.01 135.86 80.02 Favored Pre-proline 0 CA--C 1.554 1.1 0 N-CA-C 108.482 -0.933 . . . . 74.13 108.482 169.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.482 ' HG3' ' HE1' ' A' ' 165' ' ' PHE . 21.3 Cg_exo -63.64 146.4 92.39 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.145 1.896 . . . . 74.12 111.242 172.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.511 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 21.0 Cg_endo -55.92 -22.58 38.78 Favored 'Trans proline' 0 C--N 1.383 2.387 0 C-N-CA 124.113 3.209 . . . . 74.42 115.437 -167.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.41 81.85 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.458 0.703 . . . . 55.21 112.562 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -89.87 -29.35 18.63 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.915 0.486 . . . . 72.22 110.544 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.511 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 48.8 ttt180 -66.19 -31.23 71.94 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.679 0.792 . . . . 44.2 111.85 -177.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.13 -41.84 78.9 Favored Glycine 0 C--N 1.347 1.186 0 N-CA-C 111.848 -0.501 . . . . 74.32 111.848 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.51 22.02 2.34 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.937 0.895 . . . . 51.25 112.19 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -82.8 113.16 20.25 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.186 0.594 . . . . 75.33 109.787 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -113.61 -11.43 13.0 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.243 0.617 . . . . 75.14 110.56 172.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.03 132.24 1.73 Allowed Glycine 0 C--N 1.344 0.985 0 N-CA-C 111.422 -0.671 . . . . 73.3 111.422 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.551 HD11 HD21 ' A' ' 30' ' ' LEU . 29.1 mt -62.6 140.9 58.68 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.828 0.37 . . . . 74.21 110.435 173.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -72.67 140.81 48.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.226 -0.897 . . . . 73.51 108.749 -169.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -142.89 142.2 31.7 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.712 -0.477 . . . . 72.25 109.712 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -88.24 169.0 12.24 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 108.335 -0.987 . . . . 73.4 108.335 169.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.9 137.96 52.06 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.565 -0.902 . . . . 74.0 108.565 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.412 HG13 HG21 ' A' ' 19' ' ' ILE . 2.3 mp -60.13 124.74 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 124.396 1.06 . . . . 74.32 109.906 -172.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -131.76 125.0 30.87 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.221 0.608 . . . . 74.23 110.12 -174.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.42 -19.22 50.52 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.129 0.972 . . . . 74.23 112.757 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 t -74.47 -23.47 58.88 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.884 0.474 . . . . 74.15 110.554 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 47.8 m-85 -74.39 -0.1 16.19 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 112.395 0.516 . . . . 74.11 112.395 172.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.475 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 41.1 ttp180 -98.0 104.69 16.74 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.923 0.783 . . . . 61.42 109.465 171.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.5 m -100.68 151.74 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 109.869 -0.419 . . . . 65.11 109.869 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.85 117.86 28.14 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.204 -1.036 . . . . 22.52 108.204 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -112.26 128.65 56.32 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.615 0.766 . . . . 64.51 110.279 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -77.08 115.39 16.83 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.524 -0.917 . . . . 73.33 108.524 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -79.12 112.61 16.5 Favored 'General case' 0 C--O 1.254 1.298 0 C-N-CA 124.217 1.007 . . . . 71.4 109.447 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -112.47 104.03 55.75 Favored Pre-proline 0 CA--C 1.543 0.687 0 N-CA-C 107.965 -1.124 . . . . 73.5 107.965 172.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.91 137.48 81.18 Favored 'Trans proline' 0 C--N 1.372 1.776 0 C-N-CA 122.552 2.168 . . . . 73.44 111.171 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.57 98.57 0.52 Allowed 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.309 -0.997 . . . . 72.13 108.309 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -52.86 -32.99 47.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.957 1.303 . . . . 75.44 110.655 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -109.97 91.79 11.66 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.691 1.197 . . . . 74.42 109.153 169.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -83.23 120.72 2.96 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.019 1.813 . . . . 74.13 111.108 174.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.575 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 15.1 pt-20 -137.85 151.05 47.68 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.73 0.412 . . . . 70.01 110.783 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.565 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -80.72 109.57 15.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.817 0.847 . . . . 63.04 108.996 173.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 34.9 m -104.99 157.62 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.818 0.847 . . . . 70.35 109.845 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -98.42 109.41 22.17 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.655 0.782 . . . . 74.34 109.66 -176.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 85' ' ' TYR . 1.4 mm? -102.64 117.54 34.9 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 106.85 -1.537 . . . . 71.45 106.85 174.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.13 160.8 14.6 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.039 0.536 . . . . 74.3 110.392 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.2 p -125.79 154.68 42.23 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.634 -0.506 . . . . 65.21 109.634 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.485 HG23 HD21 ' A' ' 169' ' ' LEU . 23.8 p -68.64 -30.05 68.67 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 115.725 -0.67 . . . . 50.45 109.756 175.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -75.46 -18.27 59.91 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.854 1.262 . . . . 62.31 112.062 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 142.55 -120.03 1.51 Allowed Glycine 0 C--N 1.353 1.485 0 CA-C-O 119.036 -0.869 . . . . 62.15 113.524 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -58.78 146.62 92.0 Favored 'Trans proline' 0 C--N 1.385 2.451 0 C-N-CA 123.846 3.031 . . . . 53.55 113.77 -171.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.55 164.9 32.59 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.914 2.409 . . . . 64.14 113.444 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.87 140.33 53.09 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.907 0.883 . . . . 63.12 110.247 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.565 ' HB2' ' HB1' ' A' ' 72' ' ' ALA . 9.4 pt-20 -84.05 122.03 28.23 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.073 0.549 . . . . 74.23 110.859 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.563 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 20.0 m-85 -124.92 133.89 52.87 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 108.273 -1.01 . . . . 62.53 108.273 173.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.7 m -79.41 146.85 32.58 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.087 -0.709 . . . . 75.23 109.087 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.575 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 24.3 mtm180 -80.97 109.39 15.5 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.342 0.519 . . . . 75.13 110.088 175.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.634 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -83.11 -51.76 7.23 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.639 0.775 . . . . 70.53 111.092 178.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.7 176.37 11.6 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.075 -0.966 . . . . 72.22 111.146 -169.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.3 t -134.96 117.05 21.45 Favored 'Isoleucine or valine' 0 C--O 1.248 1.026 0 N-CA-C 106.104 -1.813 . . . . 75.23 106.104 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.536 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.1 mm? -89.67 116.38 27.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.671 0.789 . . . . 74.32 109.492 178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.14 120.03 6.22 Favored Glycine 0 C--N 1.341 0.838 0 N-CA-C 110.048 -1.221 . . . . 51.11 110.048 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.428 ' HE1' ' HG ' ' A' ' 102' ' ' LEU . 26.8 p90 -150.09 -174.67 4.79 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.228 0.611 . . . . 74.33 109.363 -171.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -129.17 152.46 48.73 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.077 0.551 . . . . 73.32 109.623 170.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.528 HD23 HG11 ' A' ' 176' ' ' VAL . 33.3 tp -167.96 140.33 3.08 Favored 'General case' 0 C--O 1.252 1.197 0 N-CA-C 108.016 -1.105 . . . . 75.35 108.016 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.34 -101.92 1.54 Allowed Glycine 0 C--N 1.343 0.953 0 N-CA-C 110.889 -0.884 . . . . 43.21 110.889 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -133.62 3.51 3.56 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.399 1.08 . . . . 71.51 109.609 170.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.7 m -112.73 134.19 54.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.624 0.369 . . . . 61.11 111.547 -171.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -85.71 110.53 19.38 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 106.657 -1.609 . . . . 64.1 106.657 166.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -128.68 157.84 40.24 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.807 0.443 . . . . 74.12 109.906 -166.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.0 p -117.89 144.19 45.65 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.984 0.514 . . . . 70.32 110.536 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.428 ' HG ' ' HE1' ' A' ' 93' ' ' PHE . 88.8 mt -122.44 128.98 51.57 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.017 -1.105 . . . . 63.41 108.017 169.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.6 m -80.61 128.51 33.69 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.191 -0.67 . . . . 72.02 109.191 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.87 124.31 37.8 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.065 -1.087 . . . . 73.32 108.065 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.563 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 60.9 m-85 -101.53 135.51 42.92 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.05 0.54 . . . . 71.35 110.674 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.634 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 43.1 ttm180 -91.24 130.18 37.14 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.044 -1.095 . . . . 75.0 108.044 175.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 47.2 t -110.48 128.46 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 108.153 -1.054 . . . . 42.15 108.153 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.82 133.07 55.75 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.477 0.711 . . . . 75.45 110.486 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 84.67 -38.43 2.93 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-N 116.404 -0.362 . . . . 75.34 113.418 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.547 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 11.5 tp10 -85.96 119.59 26.43 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.772 0.829 . . . . 51.2 110.055 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.1 m -71.12 -24.73 62.34 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.866 0.866 . . . . 72.41 112.013 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 m -89.58 151.66 21.81 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.971 0.508 . . . . 61.41 110.624 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 75.8 mt -91.19 132.64 35.96 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.943 0.897 . . . . 73.45 110.002 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -91.78 104.35 16.81 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 107.368 -1.345 . . . . 64.2 107.368 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.9 t -102.34 95.13 5.53 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 108.077 -1.083 . . . . 63.34 108.077 176.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -82.82 132.01 6.33 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.316 2.011 . . . . 51.15 110.385 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 132' ' ' ARG . 29.2 p90 -153.08 159.79 42.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.361 0.6 . . . . 74.21 110.919 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.1 p -121.15 161.05 22.5 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.58 -1.191 . . . . 65.31 107.918 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 4.8 p-10 -150.99 -167.66 2.88 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.788 0.835 . . . . 54.55 109.067 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -68.06 -36.64 80.21 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.015 0.371 . . . . 75.42 111.494 -175.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.9 m -69.63 -27.71 65.29 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.453 0.701 . . . . 74.24 110.609 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' A' ' 127' ' ' THR . 27.0 p -81.95 -39.15 24.12 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 116.017 -0.538 . . . . 72.4 110.523 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.47 -32.15 68.48 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.417 0.687 . . . . 61.22 111.269 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.76 -24.57 60.97 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.732 0.813 . . . . 73.31 111.444 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.556 ' HA2' ' HB2' ' A' ' 129' ' ' GLU . . . 82.17 3.85 90.42 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 116.33 1.292 . . . . 73.41 116.33 -177.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -92.57 -7.49 46.99 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 118.225 1.012 . . . . 73.24 112.198 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' ' 122' ' ' THR . 85.3 m -147.94 129.3 14.8 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 118.131 -0.938 . . . . 71.2 108.944 171.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 33.0 54.09 0.39 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 126.111 1.764 . . . . 74.33 114.502 171.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.556 ' HB2' ' HA2' ' A' ' 125' ' ' GLY . 18.7 tt0 -55.07 -51.77 65.31 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.28 1.032 . . . . 74.11 113.054 -170.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -71.0 -8.63 54.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.619 0.768 . . . . 72.31 112.42 -175.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.01 148.1 4.67 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.806 -0.918 . . . . 43.43 110.806 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 14.8 ttm-85 -119.22 158.5 25.87 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 106.256 -1.757 . . . . 74.54 106.256 173.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -117.42 169.73 9.28 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.429 0.633 . . . . 71.31 109.94 170.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.494 HD13 HD22 ' A' ' 149' ' ' LEU . 2.9 tt -144.29 122.37 12.14 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 105.986 -1.857 . . . . 43.24 105.986 165.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.418 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 7.2 p-10 -89.47 110.5 21.32 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 107.699 -1.223 . . . . 72.11 107.699 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.5 t -101.8 127.52 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 108.921 -0.77 . . . . 62.34 108.921 -177.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -81.88 112.08 31.99 Favored Pre-proline 0 C--O 1.241 0.632 0 N-CA-C 106.205 -1.776 . . . . 71.52 106.205 171.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -58.74 -29.6 90.12 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.644 2.229 . . . . 74.35 112.769 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 50.36 37.16 14.66 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.587 1.155 . . . . 62.42 111.814 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.71 45.06 55.08 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-N 115.241 -0.891 . . . . 72.01 114.435 -173.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -79.53 146.57 32.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.6 0.36 . . . . 60.1 110.688 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -129.29 -169.14 2.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.197 0.999 . . . . 73.44 109.947 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.66 99.03 0.23 Allowed Glycine 0 C--N 1.357 1.703 0 O-C-N 123.835 0.71 . . . . 72.25 113.872 -172.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 101.38 8.65 46.27 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-O 119.734 -0.481 . . . . 65.45 113.634 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -80.91 172.56 13.59 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 107.069 -1.456 . . . . 52.44 107.069 161.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -137.66 156.33 48.16 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.7 0.762 . . . . 74.33 111.001 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.24 172.82 15.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 114.503 -1.226 . . . . 62.43 109.041 -174.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.85 118.37 31.35 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 122.796 0.438 . . . . 73.23 110.424 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.494 HD22 HD13 ' A' ' 134' ' ' LEU . 14.3 mt -93.43 85.2 4.88 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 106.925 -1.509 . . . . 72.24 106.925 164.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 12.9 t0 -90.63 102.01 14.76 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.93 -1.032 . . . . 73.35 108.331 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 21.2 m-85 -73.55 -17.61 61.18 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.865 0.866 . . . . 73.21 111.327 -177.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.432 ' ND2' HD13 ' A' ' 19' ' ' ILE . 6.3 t30 -71.33 -25.65 62.49 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.078 0.551 . . . . 64.42 109.912 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.65 HD11 HG12 ' A' ' 19' ' ' ILE . 3.1 mm? -106.54 19.2 20.86 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.871 0.868 . . . . 70.41 112.008 174.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.94 148.91 7.02 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.264 0.626 . . . . 52.54 112.309 171.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -100.1 162.08 13.2 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.741 0.816 . . . . 73.01 109.478 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -121.52 133.32 24.2 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 124.402 1.081 . . . . 75.23 112.158 -164.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -78.98 146.74 20.62 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.663 2.242 . . . . 72.14 112.106 168.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.438 ' HE1' HD12 ' A' ' 30' ' ' LEU . 85.1 m-85 -81.03 -6.23 58.55 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 112.697 0.628 . . . . 74.0 112.697 -177.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 48.7 t -69.07 -33.9 74.29 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.138 0.575 . . . . 50.23 109.534 168.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -82.48 11.23 5.86 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.459 1.104 . . . . 64.13 112.535 -175.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' TYR . . . . . 0.425 ' CE2' ' HG ' ' A' ' 30' ' ' LEU . 35.2 m-85 -101.66 12.29 37.42 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.796 0.838 . . . . 73.31 111.422 173.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 79.46 49.29 6.28 Favored Glycine 0 C--N 1.349 1.263 0 N-CA-C 111.4 -0.68 . . . . 74.04 111.4 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -160.5 172.58 36.92 Favored Glycine 0 C--N 1.343 0.93 0 CA-C-N 115.275 -0.462 . . . . 61.0 112.231 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 24.5 p -105.39 68.01 0.79 Allowed 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.993 0.902 . . . . 72.42 109.045 -173.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.482 ' HE1' ' HG3' ' A' ' 39' ' ' PRO . 71.9 m-85 -105.89 157.42 17.5 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.754 -1.112 . . . . 74.22 110.334 176.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.7 p -75.4 127.51 33.3 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.783 -1.099 . . . . 53.33 110.986 -174.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.1 p -134.85 123.93 24.26 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.188 -1.041 . . . . 73.2 108.188 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -68.07 99.34 0.86 Allowed 'General case' 0 C--O 1.244 0.764 0 N-CA-C 108.8 -0.815 . . . . 62.32 108.8 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.485 HD21 HG23 ' A' ' 78' ' ' THR . 82.1 mt -59.51 123.31 70.13 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.364 1.065 . . . . 74.13 110.096 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.71 142.83 78.47 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.398 2.065 . . . . 74.52 111.725 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.66 157.11 48.88 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.063 1.842 . . . . 61.31 111.456 168.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.6 66.68 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.979 0.912 . . . . 63.51 112.5 -176.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.16 -15.4 61.96 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.955 0.902 . . . . 64.3 111.227 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -96.69 28.62 3.33 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.909 0.883 . . . . 70.42 110.28 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -103.45 109.07 20.58 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.673 -0.492 . . . . 74.22 109.673 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.528 HG11 HD23 ' A' ' 95' ' ' LEU . 39.1 t -83.94 125.91 71.7 Favored Pre-proline 0 CA--C 1.547 0.836 0 N-CA-C 108.306 -0.998 . . . . 71.33 108.306 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -77.94 66.37 8.21 Favored 'Trans proline' 0 CA--C 1.555 1.572 0 C-N-CA 122.585 2.19 . . . . 73.21 111.899 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.507 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -152.0 149.51 28.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.138 0.975 . . . . 62.0 109.732 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.11 108.64 20.01 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.838 0.455 . . . . 70.41 110.375 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' A' ' 151' ' ' PHE . 2.4 mp -98.28 96.54 5.24 Favored 'Isoleucine or valine' 0 C--O 1.244 0.797 0 N-CA-C 108.022 -1.103 . . . . 64.11 108.022 178.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 61.3 p -94.99 76.27 3.53 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.516 -0.765 . . . . 63.51 111.053 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.599 0 CA-C-N 114.896 -1.047 . . . . 72.01 108.203 172.075 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.8 mt . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 110.359 -0.237 . . . . 55.4 110.359 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.56 ' HG3' ' HB2' ' A' ' 141' ' ' ALA . 52.9 Cg_endo -69.59 127.39 14.66 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 122.574 2.183 . . . . 72.32 110.602 178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -177.18 -56.25 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.41 0 C-N-CA 125.498 1.519 . . . . 74.13 108.479 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -89.44 25.58 0.59 Allowed 'Trans proline' 0 C--N 1.398 3.134 0 C-N-CA 122.265 1.977 . . . . 71.51 111.853 174.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.7 -19.07 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.799 0.84 . . . . 72.33 111.284 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 t -83.42 79.66 9.34 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 106.455 -1.683 . . . . 70.15 106.455 157.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 2.2 t0 -33.22 163.36 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 127.493 2.317 . . . . 74.13 116.072 -175.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -55.08 132.15 46.63 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.303 -0.862 . . . . 74.3 109.004 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -40.94 -37.16 0.75 Allowed 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 115.493 1.664 . . . . 73.14 115.493 -162.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.06 -59.11 5.24 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.533 0.733 . . . . 63.31 110.571 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -72.84 -22.99 60.71 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 114.989 -1.005 . . . . 52.51 111.081 -178.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.44 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 46.0 t90 -67.52 -47.71 69.13 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.338 1.055 . . . . 73.02 109.852 174.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.484 ' HA ' HD12 ' A' ' 19' ' ' ILE . 21.6 ttt180 -67.35 -27.93 67.54 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.564 -0.744 . . . . 74.42 109.807 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.9 78.1 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 122.999 0.52 . . . . 50.34 112.325 168.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 26.8 mmt180 -60.46 -46.2 90.93 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 109.528 -0.545 . . . . 62.22 109.528 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.583 HG12 ' HG ' ' A' ' 153' ' ' LEU . 73.6 mt -57.06 -53.48 42.68 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-N 114.318 -1.31 . . . . 71.33 109.892 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.96 75.55 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.033 0.833 . . . . 34.45 111.844 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.38 -50.87 62.05 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.273 0.629 . . . . 70.44 111.262 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -63.8 -47.56 80.38 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.047 0.539 . . . . 63.4 111.497 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -47.95 -58.38 4.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.661 1.585 . . . . 63.42 111.285 172.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.01 -34.82 71.71 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.881 0.738 . . . . 61.51 111.763 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.47 -52.78 63.11 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.345 0.658 . . . . 75.42 110.924 174.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -72.58 -20.53 61.29 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.718 -0.674 . . . . 75.25 111.064 -177.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.62 -47.58 59.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.283 1.033 . . . . 75.02 110.074 172.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -85.71 -12.69 50.52 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.879 -0.601 . . . . 65.54 112.259 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.499 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 81.0 t80 -56.29 -42.32 77.35 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.175 0.59 . . . . 51.31 112.356 -177.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.695 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -90.15 -16.31 29.81 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.457 0.54 . . . . 63.45 112.457 177.789 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -58.73 2.44 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.892 0.477 . . . . 42.14 111.487 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -91.73 -59.14 2.2 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.817 0.847 . . . . 74.13 110.746 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 80.3 m80 -55.3 122.83 12.0 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 123.658 0.783 . . . . 61.34 111.488 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -72.48 -6.11 41.48 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.352 1.061 . . . . 71.33 112.267 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -59.26 -29.29 67.45 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.241 1.016 . . . . 73.4 112.625 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -157.42 77.05 3.88 Favored Pre-proline 0 CA--C 1.553 1.062 0 N-CA-C 108.984 -0.747 . . . . 75.13 108.984 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.16 124.49 14.47 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.541 2.161 . . . . 75.24 112.047 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.695 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 17.2 tt -72.72 140.28 81.21 Favored Pre-proline 0 CA--C 1.556 1.194 0 CA-C-O 118.511 -0.757 . . . . 73.43 109.695 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -54.66 145.63 58.58 Favored 'Trans proline' 0 C--N 1.388 2.653 0 C-N-CA 122.806 2.337 . . . . 74.21 112.047 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -54.63 -24.91 39.1 Favored 'Trans proline' 0 C--N 1.384 2.404 0 C-N-CA 123.822 3.015 . . . . 72.33 113.885 -174.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.87 -50.7 72.35 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.53 0.732 . . . . 70.43 111.215 176.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -90.2 -21.9 21.95 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.778 -0.646 . . . . 74.45 111.373 -175.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -60.03 -40.58 89.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.015 0.526 . . . . 75.41 110.055 166.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.26 -41.94 58.45 Favored Glycine 0 C--N 1.347 1.189 0 CA-C-N 115.737 -0.665 . . . . 33.42 112.183 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.0 18.38 2.52 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.853 0.861 . . . . 60.21 112.732 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -74.4 101.54 4.13 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.789 0.836 . . . . 73.32 109.779 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -121.92 -27.6 4.59 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.793 0.837 . . . . 53.4 109.568 170.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.2 125.8 0.86 Allowed Glycine 0 C--N 1.342 0.892 0 N-CA-C 110.087 -1.205 . . . . 61.34 110.087 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.442 ' HG ' HD21 ' A' ' 30' ' ' LEU . 4.1 mm? -85.31 -175.27 5.63 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.506 0.723 . . . . 65.54 111.508 -174.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.6 mmm-85 -88.0 114.33 24.51 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.193 0.52 . . . . 71.41 111.129 -165.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -163.49 135.46 5.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.663 1.585 . . . . 72.24 107.871 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -75.72 159.66 30.86 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.147 0.579 . . . . 75.15 111.204 -173.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -75.02 158.21 33.58 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.735 -0.666 . . . . 73.35 110.35 -174.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.12 134.4 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.936 0.894 . . . . 63.52 110.918 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -162.72 121.24 2.13 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.147 0.579 . . . . 74.53 109.996 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.74 -5.99 56.35 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.14 0.976 . . . . 75.24 112.553 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.9 m -70.99 -50.5 33.57 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.497 0.319 . . . . 75.22 111.435 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.773 ' HB2' ' HB2' ' A' ' 152' ' ' ASN . 94.8 m-85 -88.16 27.78 1.16 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.874 0.694 . . . . 74.24 112.874 -171.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 32.7 ptt180 -104.94 97.56 7.41 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.51 -0.922 . . . . 74.4 108.51 169.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -102.63 178.55 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.999 -0.741 . . . . 73.5 108.999 178.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.15 138.52 54.15 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.88 -0.785 . . . . 72.21 108.88 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.83 145.2 49.89 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.291 1.037 . . . . 74.52 109.204 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -75.98 126.16 30.47 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.468 -0.568 . . . . 74.13 109.468 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.422 ' HB3' ' O ' ' A' ' 145' ' ' ASP . 35.7 t80 -84.76 120.87 26.92 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 123.932 0.893 . . . . 63.11 108.615 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -115.77 99.27 52.37 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.432 1.093 . . . . 65.24 108.083 174.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -66.12 141.15 62.33 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.464 2.109 . . . . 73.51 111.136 -175.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 95.74 0.68 Allowed 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.664 -0.865 . . . . 73.12 108.664 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -59.35 -27.16 65.68 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.584 1.153 . . . . 75.21 111.365 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -136.35 88.48 20.72 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 123.781 0.832 . . . . 71.23 108.846 170.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -79.82 148.59 20.03 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 123.031 2.488 . . . . 71.41 112.827 -175.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 158.2 44.13 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.447 0.699 . . . . 73.51 110.984 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.51 113.01 24.34 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.614 0.766 . . . . 75.21 109.863 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 m -105.0 154.1 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 124.23 1.012 . . . . 74.31 108.711 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -106.24 128.01 53.64 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 109.223 -0.658 . . . . 55.42 109.223 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.512 ' HB2' ' HB1' ' A' ' 168' ' ' ALA . 1.3 mm? -114.22 122.88 48.11 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 106.937 -1.505 . . . . 74.13 106.937 175.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.76 149.4 44.05 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 109.844 -0.428 . . . . 73.32 109.844 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 167' ' ' CYS . 58.3 p -119.31 164.35 15.81 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 120.887 0.375 . . . . 70.34 111.359 -173.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.7 p -77.26 -26.28 52.34 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.398 -0.819 . . . . 71.02 110.015 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.537 ' HB2' ' HA ' ' A' ' 166' ' ' SER . 23.4 tpt180 -71.86 -31.43 66.46 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.641 1.176 . . . . 73.32 112.249 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.99 -122.07 1.41 Allowed Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.414 -1.214 . . . . 74.32 111.907 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.37 151.45 44.79 Favored 'Trans proline' 0 C--N 1.384 2.407 0 C-N-CA 123.541 2.827 . . . . 74.12 112.534 -178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.29 157.76 56.0 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.604 2.203 . . . . 73.14 112.903 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.4 123.72 48.35 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.143 0.977 . . . . 50.23 108.587 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.86 122.81 32.63 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.784 0.434 . . . . 74.12 111.004 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.71 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 61.9 m-85 -122.38 134.34 54.62 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.736 1.214 . . . . 74.15 108.128 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -86.02 132.22 34.1 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 108.474 -0.935 . . . . 43.45 108.474 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -68.79 114.17 6.89 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.838 -0.43 . . . . 74.13 109.838 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.83 -50.27 9.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.636 0.774 . . . . 74.21 111.345 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -163.18 177.46 9.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.538 -0.755 . . . . 51.43 110.591 -171.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.629 HG12 HG22 ' A' ' 101' ' ' THR . 3.0 t -134.06 125.2 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 N-CA-C 107.722 -1.214 . . . . 73.13 107.722 172.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -98.14 121.81 40.51 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.821 0.848 . . . . 74.21 111.191 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.8 122.6 7.63 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 111.602 -0.599 . . . . 71.13 111.602 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.614 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 31.5 p90 -144.78 172.44 13.0 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 117.417 0.608 . . . . 72.4 110.911 -176.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -111.98 149.76 31.52 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.324 1.05 . . . . 53.31 108.64 171.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.454 HD13 HG11 ' A' ' 176' ' ' VAL . 1.0 OUTLIER -166.61 117.29 0.94 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 107.695 -1.224 . . . . 75.01 107.695 -179.009 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.14 -111.43 4.01 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.237 0.335 . . . . 64.51 112.949 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.34 19.74 13.94 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.157 0.983 . . . . 74.1 109.279 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.7 m -122.38 127.98 50.39 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.384 0.674 . . . . 71.21 111.497 -175.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -96.03 112.06 23.9 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 105.794 -1.928 . . . . 71.54 105.794 161.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -130.66 150.25 51.94 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.822 -0.549 . . . . 73.54 109.83 -168.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.629 HG22 HG12 ' A' ' 90' ' ' VAL . 0.3 OUTLIER -120.39 129.65 54.03 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 106.467 -1.679 . . . . 54.01 106.467 -178.463 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.614 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 9.6 tp -117.96 129.28 55.51 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.606 0.762 . . . . 54.24 108.958 -166.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.7 m -84.24 116.46 22.97 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 109.511 -0.552 . . . . 64.03 109.511 -173.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.01 124.62 40.1 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.467 1.107 . . . . 62.1 108.662 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.71 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 38.6 m-85 -99.63 168.87 9.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.424 0.631 . . . . 61.31 110.216 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.526 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 33.5 ttm180 -116.08 133.16 56.33 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.682 1.193 . . . . 65.3 108.333 -171.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 110' ' ' GLU . 1.9 m -128.16 132.13 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.221 -1.029 . . . . 74.51 108.221 167.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -89.66 162.25 15.69 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.273 0.629 . . . . 70.13 110.058 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 75.5 -40.91 1.34 Allowed Glycine 0 CA--C 1.536 1.348 0 CA-C-N 115.757 -0.656 . . . . 70.24 112.354 -164.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.435 ' HB2' HG23 ' A' ' 107' ' ' VAL . 54.1 mm-40 -79.31 128.82 33.8 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.759 0.823 . . . . 71.34 108.905 162.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.2 m -79.24 -4.49 50.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.852 0.461 . . . . 55.03 110.917 166.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.6 m -93.44 144.55 25.24 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.843 0.857 . . . . 73.41 110.53 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.498 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 56.5 mt -89.04 139.25 30.65 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.104 0.962 . . . . 74.5 108.976 175.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.77 106.43 18.42 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.035 -1.098 . . . . 73.4 108.035 -176.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.66 95.48 27.99 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 123.718 0.807 . . . . 62.41 109.071 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 73.2 Cg_endo -86.87 132.36 3.36 Favored 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 122.793 2.329 . . . . 73.21 110.936 171.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.424 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 42.2 p90 -146.33 167.95 22.29 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.572 0.349 . . . . 74.44 110.393 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.8 p -130.28 152.95 49.14 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 109.326 -0.62 . . . . 63.43 109.326 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -145.97 -168.91 3.11 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.406 0.682 . . . . 73.24 110.632 -173.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.54 -22.87 40.43 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.193 0.442 . . . . 74.42 112.193 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.26 -32.29 66.54 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.64 0.376 . . . . 63.23 110.006 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.3 p -66.59 -37.72 85.52 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 122.774 0.429 . . . . 71.03 110.267 171.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.19 -40.39 89.85 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.111 0.564 . . . . 71.42 111.338 174.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.96 -26.52 62.3 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.04 0.536 . . . . 73.53 111.278 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.39 -0.02 89.85 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 114.83 0.692 . . . . 71.33 114.83 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -77.02 -5.88 50.5 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 117.896 0.848 . . . . 72.13 110.976 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 68.3 p -127.59 158.99 36.0 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 107.582 -1.266 . . . . 51.14 107.582 160.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.475 ' CG ' ' HB2' ' A' ' 160' ' ' ALA . 33.1 t80 -54.78 113.33 1.28 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.934 0.494 . . . . 74.24 110.908 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -23.1 63.6 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 114.75 -1.113 . . . . 64.15 113.559 -163.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.404 ' HB2' ' CE2' ' A' ' 128' ' ' TYR . 53.9 m-70 -70.79 -12.98 61.87 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.167 0.432 . . . . 71.23 112.167 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.67 171.41 18.16 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-O 121.435 0.464 . . . . 75.31 113.831 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 2.5 tpp180 -116.05 156.35 26.49 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.618 1.567 . . . . 64.31 109.453 172.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -121.06 157.34 30.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.616 1.566 . . . . 61.41 109.151 168.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.424 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 1.9 tt -151.66 129.98 12.04 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 106.808 -1.552 . . . . 75.53 106.808 169.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.29 116.62 29.83 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 107.202 -1.407 . . . . 65.22 107.202 175.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.28 123.41 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 109.318 -0.623 . . . . 72.31 109.318 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -82.93 118.16 70.85 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 107.512 -1.292 . . . . 74.44 107.512 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.498 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 26.8 Cg_endo -60.42 -25.79 81.24 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 122.746 2.297 . . . . 63.32 112.934 -176.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 49.62 37.48 12.75 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.594 1.158 . . . . 40.45 113.017 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 54.48 37.15 59.73 Favored Glycine 0 C--N 1.352 1.417 0 N-CA-C 115.155 0.822 . . . . 74.24 115.155 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.56 ' HB2' ' HG3' ' A' ' 5' ' ' PRO . . . -79.5 152.76 30.02 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.942 0.497 . . . . 62.22 111.224 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -131.65 -164.96 1.51 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.62 0.768 . . . . 74.44 109.168 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.73 93.76 0.04 OUTLIER Glycine 0 C--N 1.356 1.652 0 O-C-N 124.183 0.927 . . . . 24.32 113.643 -173.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.89 4.8 31.44 Favored Glycine 0 C--N 1.35 1.313 0 N-CA-C 114.753 0.661 . . . . 72.01 114.753 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 22.1 m-20 -92.41 131.98 37.13 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 106.926 -1.509 . . . . 72.11 106.926 173.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -99.71 145.34 27.75 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.301 0.955 . . . . 75.13 111.375 -171.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.99 160.48 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.245 1.018 . . . . 63.52 108.918 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.82 120.4 24.02 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.886 0.475 . . . . 52.32 111.283 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.2 mt -99.76 86.33 3.29 Favored 'General case' 0 C--O 1.247 0.93 0 C-N-CA 124.029 0.932 . . . . 74.11 108.925 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.447 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 3.2 m-20 -78.68 92.86 4.81 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 114.925 -1.034 . . . . 71.31 109.283 173.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.648 ' HB3' HG21 ' A' ' 180' ' ' ILE . 20.6 m-85 -75.68 -22.67 56.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.671 0.388 . . . . 74.42 111.074 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.773 ' HB2' ' HB2' ' A' ' 58' ' ' PHE . 25.2 t30 -63.9 -37.68 88.29 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.871 -0.604 . . . . 70.23 110.507 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.583 ' HG ' HG12 ' A' ' 19' ' ' ILE . 1.9 mm? -100.83 14.48 31.58 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.103 -0.953 . . . . 70.12 110.832 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.09 135.0 54.0 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 108.373 -0.973 . . . . 74.54 108.373 167.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -99.2 159.61 14.86 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.411 0.624 . . . . 64.34 109.344 -169.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 -97.5 142.26 24.28 Favored Pre-proline 0 C--N 1.312 -1.023 0 N-CA-C 108.145 -1.057 . . . . 62.21 108.145 169.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' PRO . . . . . 0.438 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 99.9 Cg_exo -48.9 153.83 3.57 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 123.618 2.879 . . . . 74.43 114.535 176.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -64.93 -17.18 64.13 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 113.928 1.084 . . . . 75.25 113.928 -174.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 37.1 t -70.47 -11.36 60.87 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 122.983 0.513 . . . . 74.11 111.256 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.475 ' HB2' ' CG ' ' A' ' 128' ' ' TYR . . . -92.32 -0.12 57.41 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.028 0.931 . . . . 71.25 112.003 176.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -93.47 3.96 54.72 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.558 0.743 . . . . 74.45 109.66 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 119.33 -27.14 7.1 Favored Glycine 0 C--N 1.356 1.649 0 CA-C-N 115.502 -0.772 . . . . 71.21 112.281 172.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -97.64 -175.52 33.94 Favored Glycine 0 C--N 1.349 1.25 0 C-N-CA 122.91 0.291 . . . . 71.35 112.957 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 16.4 m -112.41 78.22 1.11 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.967 0.907 . . . . 71.33 109.182 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.558 ' HZ ' ' HA ' ' A' ' 38' ' ' ILE . 98.3 m-85 -96.49 176.53 6.0 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.003 0.521 . . . . 75.23 111.122 -177.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 79' ' ' ARG . 56.2 p -74.46 111.21 9.42 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.469 0.708 . . . . 53.44 111.093 -178.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 157' ' ' PRO . 39.0 m -126.6 111.52 14.44 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 108.695 -0.854 . . . . 32.42 108.695 178.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 75' ' ' LEU . . . -78.25 106.6 10.27 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 109.273 -0.64 . . . . 73.44 109.273 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 61.8 mt -59.85 127.27 85.16 Favored Pre-proline 0 CA--C 1.55 0.946 0 O-C-N 124.544 1.152 . . . . 75.12 110.069 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -67.9 151.92 77.67 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.92 2.413 . . . . 71.4 112.902 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -67.08 157.08 63.47 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 122.585 2.19 . . . . 72.13 111.47 168.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.02 65.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.276 0.63 . . . . 55.42 111.281 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.58 -22.51 66.13 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.423 1.089 . . . . 73.24 111.066 172.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -99.56 19.0 16.55 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.951 0.901 . . . . 72.23 110.335 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -93.05 118.75 31.54 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.396 -0.594 . . . . 73.21 109.396 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.454 HG11 HD13 ' A' ' 95' ' ' LEU . 40.7 t -96.36 121.02 61.33 Favored Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 107.602 -1.258 . . . . 73.12 107.602 171.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -78.65 61.43 7.99 Favored 'Trans proline' 0 C--N 1.372 1.796 0 C-N-CA 122.825 2.35 . . . . 74.1 112.016 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -151.59 145.72 25.32 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.937 1.295 . . . . 75.33 108.435 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -93.15 118.29 31.06 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.139 0.576 . . . . 70.25 109.75 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' ILE . . . . . 0.648 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -96.97 93.64 3.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 N-CA-C 106.526 -1.657 . . . . 51.43 106.526 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 20.8 p -89.21 78.29 7.34 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.62 0.724 . . . . 72.34 110.846 -174.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 106.159 -1.793 . . . . 71.53 106.159 173.387 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.244 0.795 0 N-CA-C 108.132 -1.062 . . . . 74.04 108.132 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HG3' ' HB2' ' A' ' 141' ' ' ALA . 72.6 Cg_endo -71.81 122.79 8.83 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.969 1.779 . . . . 74.34 111.209 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.443 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 51.6 mt -161.08 -56.95 0.02 OUTLIER Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.427 1.491 . . . . 71.34 107.731 -179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 28.8 Cg_endo -88.5 30.69 0.42 Allowed 'Trans proline' 0 C--N 1.403 3.445 0 C-N-CA 121.94 1.76 . . . . 65.22 112.57 174.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 m -58.58 -33.3 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 108.924 -0.769 . . . . 53.41 108.924 167.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.466 HG21 ' HD2' ' A' ' 59' ' ' ARG . 10.2 t -91.95 96.4 10.35 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 107.783 -1.191 . . . . 43.21 107.783 163.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.1 m-20 -39.47 159.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 115.536 1.68 . . . . 62.41 115.536 174.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -49.96 138.84 14.75 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 114.571 -1.195 . . . . 73.44 110.428 169.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -43.73 -39.06 3.49 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 114.742 1.386 . . . . 74.53 114.742 -167.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.68 -57.35 13.05 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.699 0.761 . . . . 71.31 110.621 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -69.78 -25.09 63.63 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 114.442 -1.254 . . . . 63.11 111.865 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.486 ' O ' HG13 ' A' ' 19' ' ' ILE . 31.7 t90 -75.98 -47.94 23.03 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.364 1.066 . . . . 64.21 109.923 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -58.98 -36.0 74.13 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.714 0.633 . . . . 65.2 109.939 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.56 83.1 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 123.762 0.664 . . . . 74.22 112.054 172.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 2.8 mmp_? -58.6 -48.35 81.26 Favored 'General case' 0 C--N 1.371 1.527 0 N-CA-C 109.699 -0.482 . . . . 65.23 109.699 174.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 15' ' ' TRP . 25.0 mt -65.77 -50.89 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 124.121 0.888 . . . . 72.31 110.794 -176.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 -49.55 71.59 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.048 0.939 . . . . 62.25 112.043 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.72 -45.4 75.18 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.844 0.458 . . . . 43.31 110.946 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.47 -48.78 79.55 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.622 0.769 . . . . 72.21 111.217 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 13.9 ptt180 -70.54 -35.99 73.43 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 119.0 -0.524 . . . . 74.33 110.744 -175.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.52 81.98 Favored 'General case' 0 C--N 1.359 0.984 0 O-C-N 123.581 0.551 . . . . 72.44 110.821 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.27 -47.55 85.52 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.737 1.215 . . . . 72.4 110.116 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 158' ' ' PHE . 42.8 mmtm -79.19 -16.34 56.72 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.87 -1.059 . . . . 73.44 112.219 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 23' ' ' ARG . 7.4 t70 -77.0 -45.78 26.14 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 110.11 -0.33 . . . . 65.11 110.11 174.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.18 -27.94 61.05 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 115.726 -0.67 . . . . 73.12 110.105 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -40.44 -64.33 0.53 Allowed 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.954 1.701 . . . . 75.21 113.53 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.697 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -58.32 -19.71 37.18 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 112.47 0.544 . . . . 62.21 112.47 -174.305 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.79 -42.99 8.83 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.248 0.619 . . . . 62.44 111.419 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.6 p -100.29 12.7 36.5 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.549 1.139 . . . . 74.14 112.191 -170.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -144.56 132.99 21.95 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.668 -0.696 . . . . 75.33 111.069 -175.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.35 -8.3 59.63 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.302 -1.317 . . . . 60.34 110.695 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -60.51 -36.54 78.59 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 123.7 0.8 . . . . 64.53 110.78 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.1 m -157.64 79.23 3.44 Favored Pre-proline 0 CA--C 1.549 0.939 0 N-CA-C 107.541 -1.281 . . . . 72.45 107.541 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -78.79 153.01 25.71 Favored 'Trans proline' 0 C--N 1.374 1.881 0 C-N-CA 122.885 2.39 . . . . 63.15 113.222 -171.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.433 HG23 ' HB2' ' A' ' 43' ' ' ARG . 14.8 tt -95.55 135.26 23.25 Favored Pre-proline 0 CA--C 1.565 1.532 0 CA-C-N 114.817 -1.083 . . . . 64.23 108.159 172.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.09 149.81 51.36 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 123.624 2.882 . . . . 73.25 112.901 -175.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.82 -31.6 26.84 Favored 'Trans proline' 0 C--N 1.384 2.397 0 C-N-CA 124.406 3.404 . . . . 61.3 114.818 -171.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.23 -47.27 65.21 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.83 0.452 . . . . 74.42 111.291 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -81.88 -24.02 35.96 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.731 0.413 . . . . 71.11 109.974 -177.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.433 ' HB2' HG23 ' A' ' 38' ' ' ILE . 67.1 ttt180 -68.57 -34.91 76.64 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.109 0.964 . . . . 73.53 110.762 170.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.97 -42.0 60.47 Favored Glycine 0 C--N 1.347 1.176 0 N-CA-C 111.356 -0.698 . . . . 75.35 111.356 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.54 14.04 10.74 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.512 0.725 . . . . 71.35 112.058 176.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -73.0 117.31 14.57 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 121.452 0.644 . . . . 64.32 110.834 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -116.49 -63.14 1.49 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.101 -1.409 . . . . 73.43 107.904 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.68 148.56 7.93 Favored Glycine 0 C--N 1.341 0.857 0 CA-C-N 115.318 -0.855 . . . . 63.51 111.805 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -87.31 151.01 23.47 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.492 0.717 . . . . 72.52 110.241 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -79.2 148.36 32.29 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.642 -0.708 . . . . 63.43 110.317 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -129.24 131.41 47.04 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 108.013 -1.106 . . . . 63.12 108.013 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -65.55 162.06 18.91 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.121 0.569 . . . . 70.41 109.911 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.87 122.05 16.84 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.855 0.862 . . . . 73.2 110.781 -173.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.449 HG21 HD13 ' A' ' 19' ' ' ILE . 38.9 mt -67.61 112.32 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 124.013 0.925 . . . . 62.43 110.071 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -113.74 130.01 56.49 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.275 -0.875 . . . . 73.53 111.002 -168.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.69 -27.01 45.02 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.14 0.976 . . . . 55.14 112.527 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.9 t -73.37 -18.56 61.15 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.602 0.361 . . . . 52.32 111.094 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -89.48 18.31 5.44 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.888 0.475 . . . . 74.1 111.044 172.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 53.3 ttp180 -105.48 92.02 4.02 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.972 -1.121 . . . . 63.23 107.972 167.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.5 m -98.96 157.62 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 116.006 -0.543 . . . . 75.23 110.451 -174.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.16 119.9 30.87 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 108.667 -0.864 . . . . 54.44 108.667 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -111.99 122.64 48.32 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.621 0.768 . . . . 74.04 110.474 -173.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -74.39 110.84 9.01 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.507 0.67 . . . . 74.51 109.676 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -79.89 112.19 16.94 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 114.301 -1.318 . . . . 73.41 109.254 -173.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -105.34 100.95 28.39 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 108.226 -1.027 . . . . 75.23 108.226 172.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HD2' ' HA2' ' A' ' 143' ' ' GLY . 35.2 Cg_endo -62.62 137.54 64.65 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 121.911 1.74 . . . . 64.21 109.735 175.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.7 103.19 0.66 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.4 -0.592 . . . . 33.14 109.4 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -55.64 -31.54 62.41 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 113.748 -1.569 . . . . 61.33 110.425 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.85 101.33 12.84 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 124.263 1.025 . . . . 73.43 109.423 165.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.12 122.03 7.32 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.524 2.149 . . . . 71.21 111.923 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.8 149.0 50.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.225 0.61 . . . . 61.53 110.263 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.41 115.58 20.82 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.041 0.936 . . . . 61.14 109.442 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 11.7 m -106.71 161.88 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.407 1.083 . . . . 75.22 109.792 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -98.52 113.72 25.85 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.262 1.025 . . . . 60.24 110.15 -177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 170' ' ' PRO . 1.9 mm? -104.03 133.61 48.69 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 106.597 -1.631 . . . . 65.34 106.597 168.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.51 162.0 28.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 117.8 0.273 . . . . 71.32 110.424 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.9 p -136.36 163.07 31.31 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.962 0.41 . . . . 73.22 109.999 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.0 p -103.43 -8.63 20.03 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.099 0.959 . . . . 72.25 110.295 173.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.408 ' HB2' ' HA ' ' A' ' 166' ' ' SER . 14.8 tpt180 -73.57 -33.7 64.78 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.942 0.897 . . . . 73.04 111.535 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.32 -120.37 1.06 Allowed Glycine 0 C--N 1.344 1.019 0 CA-C-O 118.484 -1.176 . . . . 64.53 111.137 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 43.9 Cg_exo -56.73 138.22 84.39 Favored 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 123.386 2.724 . . . . 64.34 112.164 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 17.2 Cg_exo -63.33 164.46 20.2 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.519 2.146 . . . . 71.55 113.178 -176.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.55 126.25 52.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.293 1.037 . . . . 74.01 111.044 -173.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 45.3 mt-10 -83.21 128.39 34.45 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.614 0.766 . . . . 61.55 109.963 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.481 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 53.5 m-85 -132.62 139.77 47.91 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 108.99 -0.745 . . . . 75.24 108.99 175.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.3 m -95.48 125.37 40.04 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.086 -0.709 . . . . 61.14 109.086 -175.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -73.75 115.69 13.47 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.365 -0.606 . . . . 73.13 109.365 -177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.561 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -98.57 -33.25 11.06 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.363 0.665 . . . . 64.34 110.636 -177.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.33 167.68 25.43 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.607 -0.724 . . . . 32.14 110.865 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.7 t -138.48 117.49 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.222 1.409 . . . . 62.51 107.947 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.635 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 1.9 mm? -93.55 131.94 38.33 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.24 0.616 . . . . 74.11 111.145 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.82 114.7 3.4 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 110.784 -0.926 . . . . 63.12 110.784 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.461 ' HE2' HD12 ' A' ' 95' ' ' LEU . 24.7 p90 -146.86 140.83 26.02 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.694 0.798 . . . . 73.44 109.855 -166.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 4.1 m-20 -81.36 146.98 30.05 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.81 0.444 . . . . 72.21 110.022 172.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.461 HD12 ' HE2' ' A' ' 93' ' ' PHE . 2.0 tt -158.37 127.34 5.58 Favored 'General case' 0 C--O 1.249 1.029 0 N-CA-C 107.085 -1.45 . . . . 70.41 107.085 -174.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.67 -91.94 1.09 Allowed Glycine 0 C--N 1.351 1.404 0 N-CA-C 109.762 -1.335 . . . . 41.41 109.762 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -133.51 -15.57 2.44 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.121 1.369 . . . . 74.11 110.477 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.9 m -117.96 147.56 43.04 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.979 0.419 . . . . 70.22 111.569 -165.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 20.6 p-80 -84.69 123.05 29.94 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 108.712 -0.847 . . . . 64.0 108.712 174.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -116.74 149.96 39.03 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.656 1.582 . . . . 71.34 109.001 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 m -129.2 126.74 39.85 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.94 -0.763 . . . . 71.42 108.94 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.8 tp -132.68 141.42 48.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.489 0.716 . . . . 71.33 109.37 -165.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.5 m -93.4 132.05 38.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.953 0.406 . . . . 71.1 111.007 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.526 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -106.02 116.94 32.8 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.259 1.024 . . . . 73.51 108.768 177.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.481 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 38.8 m-85 -93.84 171.54 8.8 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.399 0.619 . . . . 74.33 111.64 -175.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.561 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 48.2 ttt180 -116.35 119.1 34.61 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.811 1.244 . . . . 70.14 107.894 -172.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 54.6 t -109.9 124.03 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.776 0.83 . . . . 63.42 109.179 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.31 143.05 56.38 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.961 0.504 . . . . 74.45 110.013 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 83.7 -31.02 3.37 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-O 120.009 -0.328 . . . . 73.01 113.495 -174.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -106.12 121.9 45.09 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.887 0.875 . . . . 64.12 110.427 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.5 m -77.86 -11.28 59.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.702 0.801 . . . . 64.14 112.07 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.5 m -87.17 145.76 26.28 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.092 0.557 . . . . 41.03 110.043 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.451 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 53.1 mt -82.3 127.34 33.12 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.066 0.946 . . . . 63.41 108.545 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.89 113.02 24.53 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.817 -1.179 . . . . 63.14 107.817 -172.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 104' ' ' ALA . 21.6 t -110.04 98.2 33.51 Favored Pre-proline 0 N--CA 1.475 0.779 0 C-N-CA 123.493 0.717 . . . . 75.41 109.391 -177.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -84.59 123.67 2.96 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 123.373 2.716 . . . . 53.02 109.944 168.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 6.3 p90 -148.48 166.11 29.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.482 0.658 . . . . 74.43 110.416 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.5 p -128.19 163.12 25.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.559 -1.2 . . . . 71.53 107.851 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -160.02 -166.15 1.65 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.105 0.562 . . . . 62.02 109.873 -174.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -77.75 -27.31 50.36 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 111.94 0.348 . . . . 64.11 111.94 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.7 m -77.6 -35.07 53.25 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.406 0.682 . . . . 54.33 112.126 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.415 HG23 ' HE ' ' A' ' 132' ' ' ARG . 23.7 p -66.42 -36.3 82.47 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 120.975 0.417 . . . . 75.34 110.161 170.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.87 -28.77 69.77 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.086 -0.961 . . . . 75.2 111.155 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.47 -19.85 64.58 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.224 1.01 . . . . 65.03 111.435 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 89.86 -21.95 27.71 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 115.501 0.96 . . . . 75.21 115.501 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -76.01 -7.59 55.01 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.062 0.931 . . . . 75.0 112.983 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.8 p -129.31 164.96 22.41 Favored 'General case' 0 C--O 1.246 0.917 0 N-CA-C 107.68 -1.23 . . . . 35.01 107.68 160.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -58.3 112.56 1.6 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.368 0.877 . . . . 72.03 113.368 -164.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -57.8 -26.65 62.23 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.749 1.219 . . . . 63.04 111.798 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.549 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 98.6 m-70 -69.34 -13.17 62.23 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.108 0.963 . . . . 75.15 111.564 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.79 162.82 11.32 Favored Glycine 0 C--N 1.339 0.714 0 N-CA-C 110.744 -0.942 . . . . 53.34 110.744 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.415 ' HE ' HG23 ' A' ' 122' ' ' THR . 11.0 ptp180 -122.91 141.39 51.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.798 -1.556 . . . . 70.33 106.798 173.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.411 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 80.7 m-85 -96.75 167.99 10.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.332 0.587 . . . . 63.02 110.644 175.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.411 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 4.0 tt -150.9 130.57 13.11 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 106.384 -1.71 . . . . 75.22 106.384 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -100.67 124.6 46.51 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 108.583 -0.895 . . . . 75.02 108.583 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.2 t -113.67 123.22 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.125 -1.065 . . . . 72.24 108.125 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -89.84 119.22 69.42 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 107.918 -1.142 . . . . 73.12 107.918 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.27 -31.6 63.17 Favored 'Trans proline' 0 C--N 1.372 1.799 0 C-N-CA 122.415 2.077 . . . . 61.21 112.975 -177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.4 -82.75 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.735 1.214 . . . . 73.12 113.207 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -150.82 25.48 1.04 Allowed Glycine 0 C--N 1.343 0.941 0 C-N-CA 123.58 0.609 . . . . 65.32 112.066 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.405 ' HB2' ' HG3' ' A' ' 5' ' ' PRO . . . -67.44 105.35 1.78 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.465 1.106 . . . . 74.3 112.138 -175.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -86.46 169.98 12.37 Favored 'General case' 0 C--O 1.249 1.07 0 CA-C-N 115.091 -0.959 . . . . 53.43 109.21 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 66' ' ' PRO . . . -56.2 103.09 0.22 Allowed Glycine 0 C--N 1.342 0.913 0 O-C-N 123.696 0.623 . . . . 65.42 113.555 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 105.01 10.14 32.91 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-O 119.284 -0.731 . . . . 63.25 114.145 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.18 177.27 9.13 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 117.743 0.771 . . . . 75.43 109.446 172.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -119.51 143.84 47.34 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.077 0.465 . . . . 74.1 110.505 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.15 144.06 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 107.782 -1.192 . . . . 61.3 107.782 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.88 110.81 14.42 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 110.12 -0.326 . . . . 74.14 110.12 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 16.1 mt -92.71 86.22 5.48 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 108.255 -1.017 . . . . 73.05 108.255 171.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -87.21 102.73 14.76 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 114.815 -1.084 . . . . 70.12 108.195 171.422 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -66.57 -16.65 64.32 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.315 -1.311 . . . . 45.33 110.434 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -75.63 -0.67 21.41 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.598 0.759 . . . . 73.4 112.209 173.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 153' ' ' LEU . 3.3 mm? -110.74 -0.38 17.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.879 0.872 . . . . 75.1 111.396 168.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.13 140.21 21.48 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 123.945 0.778 . . . . 72.25 112.593 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.411 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 68.9 t80 -97.07 160.91 14.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.623 1.169 . . . . 61.44 108.809 -172.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -129.84 153.5 80.91 Favored Pre-proline 0 N--CA 1.476 0.859 0 N-CA-C 108.975 -0.75 . . . . 73.25 108.975 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.92 120.67 7.55 Favored 'Trans proline' 0 C--N 1.371 1.756 0 C-N-CA 120.898 1.066 . . . . 45.55 110.206 171.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 26' ' ' LYS . 82.9 m-85 -86.41 -15.63 39.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.937 0.495 . . . . 74.22 110.71 175.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' CYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 165' ' ' PHE . 35.9 m -57.1 -33.02 66.89 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.433 1.093 . . . . 73.12 111.014 169.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.16 -15.64 63.83 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.248 1.019 . . . . 73.22 112.95 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' TYR . . . . . 0.423 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 29.5 m-85 -71.39 8.37 1.07 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 114.111 1.152 . . . . 60.15 114.111 -177.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 114.34 -10.6 22.1 Favored Glycine 0 N--CA 1.474 1.214 0 CA-C-N 118.763 0.711 . . . . 52.23 113.355 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -74.01 -155.8 4.08 Favored Glycine 0 C--N 1.353 1.476 0 CA-C-N 117.38 0.59 . . . . 41.23 112.711 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 49.9 m -76.75 100.74 5.55 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 107.106 -1.442 . . . . 62.44 107.106 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 159' ' ' CYS . 7.8 p90 -80.89 78.11 7.72 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 122.725 1.25 . . . . 72.01 111.131 -164.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 79' ' ' ARG . 22.2 p -98.01 94.24 6.75 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 113.553 -1.658 . . . . 61.45 109.322 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 130' ' ' HIS . 6.9 p -122.52 135.95 54.77 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.292 -1.003 . . . . 72.12 108.292 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -85.25 93.76 8.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.243 0.617 . . . . 75.21 109.77 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.36 111.83 5.36 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 124.478 1.111 . . . . 73.33 109.46 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.566 ' HB2' ' HB2' ' A' ' 174' ' ' ASN . 56.7 Cg_endo -83.42 152.02 13.59 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 122.429 2.086 . . . . 73.4 111.772 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.87 176.35 1.88 Allowed 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.907 2.405 . . . . 70.33 113.289 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -67.27 -15.96 64.0 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.323 0.649 . . . . 50.15 111.547 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.71 -23.68 66.15 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.987 0.915 . . . . 73.25 111.264 172.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.566 ' HB2' ' HB2' ' A' ' 170' ' ' PRO . 36.8 m-80 -112.82 36.17 3.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.918 0.887 . . . . 71.0 109.644 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -116.47 115.14 25.26 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.753 -0.832 . . . . 72.15 108.753 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.448 HG11 HD13 ' A' ' 95' ' ' LEU . 60.9 t -86.2 119.46 71.67 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 108.894 -0.78 . . . . 64.43 108.894 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.54 58.89 4.69 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 123.169 2.579 . . . . 64.03 112.205 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.33 152.18 31.79 Favored 'General case' 0 C--O 1.251 1.183 0 C-N-CA 124.529 1.131 . . . . 62.42 108.923 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -85.35 104.86 15.55 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.832 -0.622 . . . . 70.03 109.374 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 1.8 mp -91.45 89.59 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 104.385 -2.45 . . . . 73.3 104.385 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 2.4 m -119.35 73.19 0.93 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.316 1.055 . . . . 70.12 108.434 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.447 0 CA-C-N 113.589 -1.641 . . . . 72.12 108.589 -179.181 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.139 -0.319 . . . . 64.51 110.139 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.94 123.69 11.64 Favored 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.548 2.165 . . . . 71.51 110.885 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 36.3 mt -167.32 -58.63 0.01 OUTLIER Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 125.482 1.513 . . . . 73.0 108.409 -170.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 21.4 Cg_endo -88.49 28.58 0.48 Allowed 'Trans proline' 0 C--N 1.397 3.124 0 C-N-CA 122.381 2.054 . . . . 71.15 111.787 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.3 m -71.08 -20.89 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.885 0.874 . . . . 73.42 111.037 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -85.02 91.73 8.16 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 107.79 -1.189 . . . . 73.12 107.79 164.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 6.5 t0 -34.96 147.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.852 1.661 . . . . 45.14 114.875 177.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -54.12 138.38 38.11 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.746 0.819 . . . . 73.43 111.136 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -40.83 -42.19 1.75 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 126.239 1.816 . . . . 64.34 115.514 -163.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.35 -59.44 5.0 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.085 0.554 . . . . 73.42 110.462 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -72.16 -19.93 61.68 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.038 -0.983 . . . . 73.32 111.415 -178.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.484 ' O ' HG13 ' A' ' 19' ' ' ILE . 27.2 t90 -66.21 -55.03 18.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.604 1.162 . . . . 73.14 109.507 174.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' HA ' HD12 ' A' ' 19' ' ' ILE . 77.2 mtt-85 -61.93 -30.35 70.84 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.58 -0.736 . . . . 74.24 111.016 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.52 93.98 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 119.146 -0.454 . . . . 62.24 111.289 170.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 8.6 mmp_? -58.23 -49.57 76.62 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.963 0.505 . . . . 71.34 110.466 177.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 15' ' ' TRP . 19.9 mt -63.49 -58.63 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 115.461 -0.79 . . . . 73.42 110.504 -175.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.36 -39.45 75.99 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.095 0.872 . . . . 61.2 112.009 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -47.58 70.08 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.689 0.396 . . . . 71.32 111.694 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -67.32 -38.82 85.52 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 121.108 0.48 . . . . 75.33 110.421 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' NH1' ' HB2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -68.84 -34.24 75.15 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 114.798 -1.092 . . . . 70.24 109.628 178.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.63 -36.56 70.8 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.65 0.78 . . . . 75.11 111.309 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.19 -42.01 98.89 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.242 0.617 . . . . 52.21 109.851 173.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -29.57 65.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.462 -0.79 . . . . 72.43 111.687 174.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -62.23 -47.98 82.03 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.311 0.644 . . . . 75.02 109.818 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.06 -19.29 44.11 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.579 -0.737 . . . . 74.21 112.38 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.444 ' O ' ' HB3' ' A' ' 33' ' ' HIS . 42.2 t80 -56.52 -51.92 66.7 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 112.96 0.726 . . . . 74.42 112.96 -176.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.654 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -85.28 -18.82 32.76 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 111.633 0.234 . . . . 72.12 111.633 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.98 -54.88 6.2 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.273 0.629 . . . . 54.42 111.371 -176.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 t -120.85 -50.63 2.17 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.371 0.669 . . . . 64.21 112.004 -173.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 8.8 t-80 -44.85 115.34 0.86 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.192 0.997 . . . . 75.53 111.27 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.84 -17.82 57.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.683 1.193 . . . . 50.54 113.974 -167.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -69.22 -20.4 63.96 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.095 0.558 . . . . 61.14 112.012 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 t -143.0 106.05 5.26 Favored Pre-proline 0 C--N 1.345 0.41 0 N-CA-C 108.652 -0.87 . . . . 74.45 108.652 -169.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -91.22 123.28 0.8 Allowed 'Trans proline' 0 CA--C 1.552 1.402 0 C-N-CA 122.492 2.128 . . . . 62.13 111.867 168.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.654 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 18.3 tt -80.4 142.57 54.4 Favored Pre-proline 0 N--CA 1.477 0.887 0 N-CA-C 107.085 -1.45 . . . . 75.1 107.085 165.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -43.44 131.41 6.99 Favored 'Trans proline' 0 CA--C 1.559 1.766 0 C-N-CA 123.097 2.531 . . . . 72.02 113.687 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.42 -33.28 46.06 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 123.788 2.992 . . . . 62.0 112.851 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.61 92.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.804 0.842 . . . . 72.55 111.767 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.01 -38.27 32.43 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.166 0.586 . . . . 63.33 110.941 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HB2' HG23 ' A' ' 38' ' ' ILE . 44.0 ttp85 -63.66 -29.78 70.97 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.78 0.675 . . . . 60.03 111.386 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.64 -44.27 96.7 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 116.112 -0.494 . . . . 71.11 112.357 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.43 17.39 16.21 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.762 0.825 . . . . 74.12 111.888 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -76.83 122.55 24.96 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.144 0.578 . . . . 72.14 110.423 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -136.61 -17.42 1.49 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.347 0.659 . . . . 75.32 111.084 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.03 122.44 0.61 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 111.787 -0.525 . . . . 75.31 111.787 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.522 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 65.4 mt -64.49 147.38 52.88 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.501 0.721 . . . . 62.22 111.622 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -81.9 134.47 35.4 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.286 -0.87 . . . . 72.04 110.626 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -160.64 147.39 15.44 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.73 -1.123 . . . . 64.21 108.727 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -73.38 161.72 30.14 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.537 -0.542 . . . . 75.51 109.537 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.06 145.9 44.09 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.37 -0.377 . . . . 71.1 110.683 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -65.3 115.86 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.438 0.695 . . . . 75.3 110.15 -171.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -105.36 131.21 53.08 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.431 0.692 . . . . 62.41 109.938 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.59 -21.85 47.98 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.785 0.834 . . . . 64.51 111.98 -175.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.6 m -79.45 -19.42 49.89 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 122.138 -0.351 . . . . 62.31 110.469 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -86.46 11.77 11.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.318 0.647 . . . . 75.24 112.391 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.515 ' HB3' ' ND2' ' A' ' 152' ' ' ASN . 36.9 ptt180 -109.68 108.2 18.5 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 108.327 -0.99 . . . . 72.14 108.327 164.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.6 m -103.01 170.57 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 120.969 0.414 . . . . 74.34 110.57 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.43 108.38 18.88 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.677 -1.231 . . . . 53.54 107.677 175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.36 134.29 47.0 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.993 0.917 . . . . 72.2 109.937 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -74.68 117.45 16.53 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.486 0.714 . . . . 72.53 109.799 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -83.05 124.22 30.23 Favored 'General case' 0 C--O 1.251 1.156 0 C-N-CA 124.994 1.317 . . . . 74.22 110.128 -174.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -125.8 112.28 24.85 Favored Pre-proline 0 C--O 1.214 -0.783 0 N-CA-C 108.482 -0.933 . . . . 72.45 108.482 167.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.94 163.69 36.31 Favored 'Trans proline' 0 C--N 1.369 1.641 0 C-N-CA 122.455 2.103 . . . . 64.34 111.741 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.82 97.69 3.34 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.488 -0.931 . . . . 63.23 108.488 172.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -58.3 -27.17 63.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.225 1.01 . . . . 71.44 110.963 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -128.17 93.44 38.91 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 107.57 -1.27 . . . . 53.14 107.57 167.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.7 128.5 12.61 Favored 'Trans proline' 0 C--N 1.367 1.542 0 C-N-CA 121.997 1.798 . . . . 70.34 111.389 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -131.0 152.2 50.57 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.77 0.828 . . . . 74.23 110.853 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.15 113.15 23.49 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.587 0.755 . . . . 75.42 109.352 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 33.8 m -105.68 156.65 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 123.775 0.83 . . . . 72.41 109.958 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.508 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 44.8 mt-10 -102.04 116.36 32.52 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.37 0.668 . . . . 54.55 109.611 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.431 HD23 ' HD2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -114.41 124.37 51.77 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.143 -1.428 . . . . 74.13 107.143 174.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -60.36 152.7 24.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.367 0.667 . . . . 70.35 109.873 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.2 p -117.66 163.62 16.2 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.483 0.583 . . . . 74.01 110.721 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.9 p -74.72 -27.88 60.56 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.212 -0.904 . . . . 70.01 109.946 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -72.97 -32.46 65.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.263 -0.881 . . . . 70.12 111.442 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.23 -120.39 1.13 Allowed Glycine 0 C--N 1.346 1.13 0 CA-C-O 118.844 -0.976 . . . . 63.33 112.465 -171.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -50.83 143.76 28.96 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.269 3.313 . . . . 72.14 114.128 -172.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -61.87 139.03 77.63 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 122.874 2.383 . . . . 64.54 112.691 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.35 128.63 44.34 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.069 1.347 . . . . 75.01 109.093 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.51 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 40.0 mt-10 -94.06 127.84 40.1 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.075 0.55 . . . . 73.21 110.084 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.46 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 59.1 m-85 -131.02 139.03 49.9 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.998 0.519 . . . . 54.21 110.98 -177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -80.98 130.94 35.26 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.436 -0.802 . . . . 60.23 109.284 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -70.85 116.08 10.73 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.658 0.383 . . . . 72.25 110.032 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.66 -51.1 8.05 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.433 0.693 . . . . 44.12 111.457 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.9 175.23 12.75 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.369 -0.832 . . . . 64.23 110.93 -171.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.86 125.05 34.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 C-N-CA 125.474 1.51 . . . . 70.41 107.145 171.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -104.01 135.25 45.87 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.485 1.114 . . . . 41.34 110.431 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -116.16 122.63 5.6 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 111.14 -0.784 . . . . 53.44 111.14 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.69 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 39.8 p90 -143.92 -175.89 4.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.278 0.631 . . . . 75.1 110.775 -171.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -121.56 142.49 50.04 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.997 0.919 . . . . 64.54 109.741 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.5 mt -149.05 129.28 13.69 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.529 1.132 . . . . 75.42 108.609 175.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.12 -104.02 1.03 Allowed Glycine 0 C--N 1.35 1.331 0 O-C-N 123.538 0.524 . . . . 44.4 113.047 173.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -108.52 -18.26 13.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.43 1.092 . . . . 75.44 110.52 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 m -133.55 154.78 50.59 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 122.156 0.979 . . . . 70.32 113.398 -163.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -85.61 124.9 32.68 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.16 -1.382 . . . . 74.51 108.125 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -125.58 147.65 49.21 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.793 0.837 . . . . 75.12 109.24 -171.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.32 162.06 16.51 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.909 -0.775 . . . . 71.33 108.909 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.69 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 4.5 tp -147.35 128.65 14.81 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 109.244 -0.65 . . . . 75.4 109.244 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.0 m -87.15 123.04 31.77 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.108 0.48 . . . . 61.03 110.458 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -101.55 124.07 46.61 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.442 1.097 . . . . 54.13 109.701 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.46 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 25.6 m-85 -96.69 175.93 6.19 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.658 0.783 . . . . 55.32 110.084 175.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.598 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 72.4 ttt180 -128.97 129.88 45.99 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.707 -0.849 . . . . 64.41 108.707 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.698 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 15.3 t -82.16 152.93 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 108.836 -0.801 . . . . 62.54 108.836 175.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.26 114.48 6.77 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 122.888 0.475 . . . . 45.24 110.462 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.96 28.01 47.61 Favored Glycine 0 N--CA 1.475 1.245 0 CA-C-N 116.337 -0.392 . . . . 64.51 112.427 171.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.698 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -80.71 175.98 10.2 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.039 1.336 . . . . 74.54 112.474 -171.611 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 79.3 p -113.81 -34.43 5.47 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.626 -0.879 . . . . 75.14 108.626 161.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.6 m -121.67 153.45 38.15 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.427 -1.261 . . . . 74.14 110.984 -173.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 19.6 mt -83.3 140.52 32.42 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.712 1.205 . . . . 65.21 110.528 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -92.32 98.1 11.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.779 1.232 . . . . 60.44 108.856 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.4 t -107.77 107.18 60.01 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 122.454 0.302 . . . . 64.14 110.217 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -81.14 153.72 18.96 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.966 2.444 . . . . 71.02 110.822 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -168.64 159.46 10.02 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 121.638 0.732 . . . . 73.43 112.212 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 170' ' ' PRO . 4.3 p -134.31 151.8 51.45 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.784 -1.553 . . . . 75.34 108.928 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.483 ' CG ' HH22 ' A' ' 132' ' ' ARG . 2.9 m-20 -117.04 -161.86 0.83 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.505 1.122 . . . . 74.52 110.207 -168.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -79.05 -34.24 43.93 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.157 0.983 . . . . 73.12 108.943 155.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.2 m -59.2 -30.82 68.5 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.359 1.464 . . . . 55.43 111.611 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.677 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 14.2 p -70.92 -49.72 42.64 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.064 0.945 . . . . 73.54 111.075 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.57 -18.33 60.59 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 115.652 -0.704 . . . . 64.12 111.387 -177.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -84.5 -9.06 58.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.258 0.623 . . . . 61.01 110.614 172.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.64 6.72 86.97 Favored Glycine 0 C--N 1.352 1.434 0 N-CA-C 115.571 0.989 . . . . 64.01 115.571 169.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -77.57 -44.94 26.83 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 117.843 0.821 . . . . 73.45 109.981 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.665 ' HB ' ' HE ' ' A' ' 132' ' ' ARG . 75.3 p -111.58 155.05 23.93 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.116 0.966 . . . . 73.11 110.522 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.466 ' HB3' ' HD2' ' A' ' 132' ' ' ARG . 7.5 t80 -53.31 104.89 0.11 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.854 1.262 . . . . 70.04 112.469 -169.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.677 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 0.0 OUTLIER -63.32 -25.49 68.33 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.608 1.163 . . . . 73.22 112.369 -174.632 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -77.38 -6.47 53.45 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 115.623 -0.717 . . . . 70.04 111.745 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 128.72 161.74 10.75 Favored Glycine 0 C--N 1.347 1.143 0 CA-C-N 116.359 -0.382 . . . . 65.15 112.921 170.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.665 ' HE ' ' HB ' ' A' ' 127' ' ' THR . 0.0 OUTLIER -136.67 167.12 22.02 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.882 0.873 . . . . 72.32 108.893 169.144 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -118.49 164.57 15.08 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.705 0.764 . . . . 74.43 111.646 -175.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.507 ' HA ' ' HD1' ' A' ' 155' ' ' TYR . 1.6 tt -147.44 119.24 8.09 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 105.889 -1.893 . . . . 53.51 105.889 171.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.465 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 3.7 p30 -86.54 112.21 21.33 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.745 -1.206 . . . . 73.45 107.745 171.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 66.7 t -105.86 120.5 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.917 -0.771 . . . . 74.01 108.917 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -78.33 120.94 82.99 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 108.252 -1.018 . . . . 72.43 108.252 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.1 -31.3 95.25 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.855 2.37 . . . . 31.41 112.578 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 47.82 36.37 5.81 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.546 1.138 . . . . 71.4 112.678 -176.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 55.82 42.07 84.98 Favored Glycine 0 C--N 1.35 1.356 0 CA-C-N 115.777 -0.647 . . . . 44.14 114.543 -174.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -80.66 163.29 23.71 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.771 0.428 . . . . 71.55 111.038 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -146.92 175.58 10.55 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 108.96 -0.755 . . . . 73.23 108.96 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -58.16 112.07 3.62 Favored Glycine 0 C--N 1.348 1.22 0 N-CA-C 114.249 0.46 . . . . 43.55 114.249 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.37 -3.49 32.93 Favored Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.624 -0.542 . . . . 75.5 113.498 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -80.98 -179.88 7.54 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 117.429 0.615 . . . . 72.33 109.664 168.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -129.99 156.08 45.06 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.611 0.719 . . . . 63.21 109.264 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.65 158.69 41.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.582 -1.266 . . . . 55.05 107.582 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.87 115.78 24.51 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.814 -0.81 . . . . 71.3 108.814 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.2 mt -92.18 85.81 5.57 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 107.847 -1.168 . . . . 64.35 107.847 171.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.486 ' HB3' HD23 ' A' ' 153' ' ' LEU . 3.5 m-20 -74.81 93.71 2.66 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 113.73 -1.577 . . . . 71.3 108.053 173.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.651 ' HB3' HG21 ' A' ' 180' ' ' ILE . 22.1 m-85 -74.29 -19.93 60.31 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 116.096 -0.502 . . . . 72.32 109.848 173.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 59' ' ' ARG . 8.8 p30 -64.69 -24.12 67.47 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.223 0.609 . . . . 54.51 111.014 173.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 150' ' ' ASP . 2.3 mm? -77.98 -24.26 48.09 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.718 0.807 . . . . 72.1 111.738 172.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.96 125.76 3.01 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 125.34 1.456 . . . . 72.24 113.851 -165.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.507 ' HD1' ' HA ' ' A' ' 134' ' ' LEU . 8.4 m-85 -103.47 162.77 12.75 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 114.083 -1.417 . . . . 62.05 111.206 -164.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -100.01 152.14 37.72 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.169 -0.923 . . . . 55.2 110.71 -173.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -81.21 134.54 9.2 Favored 'Trans proline' 0 CA--C 1.552 1.388 0 C-N-CA 122.829 2.352 . . . . 73.04 109.375 156.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -75.79 -5.65 46.86 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.431 0.692 . . . . 65.15 112.024 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 29.4 m -54.52 -36.29 64.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.869 0.868 . . . . 73.15 110.019 165.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.02 -36.01 72.24 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 114.998 -1.001 . . . . 75.23 110.884 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' TYR . . . . . 0.4 ' HE2' HD13 ' A' ' 49' ' ' LEU . 2.8 m-30 -89.65 12.62 16.31 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.286 0.634 . . . . 74.14 111.135 -174.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.24 -33.57 6.22 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-N 116.093 -0.503 . . . . 51.14 113.366 168.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -57.44 124.16 35.06 Favored Glycine 0 C--N 1.348 1.237 0 N-CA-C 111.312 -0.715 . . . . 60.1 111.312 172.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 51.0 m -81.77 78.82 8.45 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.528 0.68 . . . . 71.55 110.84 -170.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -101.18 -175.46 2.87 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 114.898 -1.047 . . . . 73.23 110.43 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 26.9 p -103.94 122.69 45.73 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.83 0.852 . . . . 72.43 109.727 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 36.4 t -109.6 113.78 26.85 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.659 -1.237 . . . . 72.04 107.659 171.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -74.32 118.49 17.33 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.188 0.595 . . . . 63.02 109.529 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 170' ' ' PRO . 4.2 mm? -58.47 118.28 26.88 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 124.528 1.131 . . . . 70.05 110.064 179.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.409 ' HG2' HG23 ' A' ' 118' ' ' THR . 17.5 Cg_exo -67.46 133.47 30.22 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.986 2.457 . . . . 72.35 110.848 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.78 170.59 11.12 Favored 'Trans proline' 0 C--N 1.37 1.676 0 C-N-CA 122.636 2.224 . . . . 70.34 112.467 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -53.04 -28.87 26.55 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 114.101 1.149 . . . . 24.34 114.101 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.61 -21.97 61.04 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 120.831 0.348 . . . . 64.22 111.469 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 102' ' ' LEU . 16.0 m120 -96.67 -0.01 49.06 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.248 0.619 . . . . 74.22 111.855 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -92.91 110.06 21.51 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.3 -0.63 . . . . 52.02 109.3 172.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 30.1 m -95.46 132.09 28.33 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 123.861 0.864 . . . . 71.35 110.007 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -74.79 69.53 5.35 Favored 'Trans proline' 0 C--N 1.369 1.617 0 C-N-CA 122.775 2.317 . . . . 44.44 111.015 165.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -153.04 145.66 24.25 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.252 1.021 . . . . 73.3 108.979 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -95.0 104.71 16.59 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.191 0.597 . . . . 72.24 109.735 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 180' ' ' ILE . . . . . 0.651 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.9 mp -105.79 94.68 3.26 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 N-CA-C 108.301 -1.0 . . . . 71.33 108.301 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 26.9 p -86.33 135.02 33.68 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.17 -1.418 . . . . 71.31 107.17 165.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 152' ' ' ASN . . . . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 119.413 -0.327 . . . . 54.21 110.433 -161.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.552 1.02 0 N-CA-C 109.369 -0.604 . . . . 63.02 109.369 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.437 ' HB2' ' O ' ' A' ' 146' ' ' GLU . 16.5 Cg_exo -54.34 126.22 21.5 Favored 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 123.096 2.531 . . . . 64.22 112.189 -175.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 63.9 mt -167.74 -55.93 0.01 OUTLIER Pre-proline 0 CA--C 1.561 1.373 0 C-N-CA 126.189 1.796 . . . . 55.21 108.759 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 40.8 Cg_endo -85.29 30.12 0.52 Allowed 'Trans proline' 0 C--N 1.408 3.659 0 C-N-CA 122.504 2.136 . . . . 53.43 112.539 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.5 m -67.85 -26.24 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 115.625 -0.716 . . . . 53.45 109.548 170.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.5 t -95.23 31.61 1.9 Allowed 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.931 1.292 . . . . 75.31 110.67 169.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 40.16 -150.15 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.846 1.425 . . . . 74.54 114.846 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -111.21 152.38 27.16 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 106.737 -1.579 . . . . 53.14 106.737 165.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -36.26 -50.66 0.75 Allowed 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 115.803 1.779 . . . . 64.51 115.803 -163.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -74.85 -45.41 43.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.799 0.44 . . . . 42.44 110.753 -174.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.74 -33.01 74.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.102 0.561 . . . . 72.44 110.371 178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.527 ' O ' HG13 ' A' ' 19' ' ' ILE . 21.5 t90 -62.98 -58.33 7.71 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.232 1.413 . . . . 71.45 108.793 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -50.74 -46.08 59.06 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 124.711 1.257 . . . . 74.34 111.046 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.36 96.94 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.297 0.639 . . . . 60.13 111.891 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -65.33 -40.29 93.48 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.877 0.471 . . . . 54.14 110.806 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 15' ' ' TRP . 63.3 mt -61.29 -49.32 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 123.893 0.745 . . . . 43.41 109.896 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.99 -34.93 79.22 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 124.165 0.916 . . . . 72.51 111.445 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.07 -35.26 77.91 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.217 0.607 . . . . 30.21 110.514 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -70.98 -37.6 72.75 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.601 0.761 . . . . 73.31 110.285 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.541 ' HD2' ' HB2' ' A' ' 51' ' ' TYR . 18.4 mmt180 -63.58 -45.55 89.88 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 109.512 -0.551 . . . . 72.21 109.512 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.85 -38.8 92.19 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.845 -0.616 . . . . 63.22 110.893 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.56 -50.76 72.05 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 123.913 0.885 . . . . 62.15 112.004 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.1 -50.52 54.39 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.644 -0.502 . . . . 74.22 109.644 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -36.57 37.63 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.367 0.667 . . . . 52.13 112.522 178.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -84.5 -33.81 23.48 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 118.899 -0.572 . . . . 74.22 111.432 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -56.05 -62.07 1.96 Allowed 'General case' 0 N--CA 1.499 1.975 0 C-N-CA 123.782 0.833 . . . . 75.32 111.948 -173.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.454 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.53 -13.53 61.05 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.727 0.64 . . . . 71.3 112.727 -176.065 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.28 -39.05 13.75 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.785 0.434 . . . . 64.13 111.137 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.3 p -112.48 -58.51 2.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.785 0.434 . . . . 74.15 111.501 -171.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -63.88 133.65 53.7 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 121.394 0.616 . . . . 75.13 112.6 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.64 -24.86 67.72 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.485 1.514 . . . . 51.33 113.736 -164.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -70.03 -14.39 62.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.536 0.939 . . . . 74.15 113.536 -167.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.1 m -156.56 85.72 3.02 Favored Pre-proline 0 N--CA 1.479 0.997 0 N-CA-C 108.104 -1.073 . . . . 73.23 108.104 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -84.01 125.35 3.59 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 122.353 2.035 . . . . 72.2 112.563 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.454 HG13 ' HB2' ' A' ' 30' ' ' LEU . 52.8 mt -69.17 129.7 91.79 Favored Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 108.697 -0.853 . . . . 61.55 108.697 172.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -47.22 136.36 18.84 Favored 'Trans proline' 0 C--N 1.386 2.514 0 C-N-CA 123.673 2.915 . . . . 63.03 113.225 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -51.14 -32.84 41.5 Favored 'Trans proline' 0 C--N 1.386 2.521 0 C-N-CA 124.123 3.215 . . . . 73.34 114.696 -170.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.84 -51.19 65.8 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.961 0.504 . . . . 55.13 112.022 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -71.46 -36.39 71.2 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.323 0.649 . . . . 62.21 110.377 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.558 ' HA ' ' HB2' ' A' ' 46' ' ' PHE . 57.3 ttt-85 -71.99 -22.74 61.38 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.914 -1.039 . . . . 75.53 111.13 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.31 -44.94 72.5 Favored Glycine 0 C--N 1.347 1.183 0 N-CA-C 111.477 -0.649 . . . . 55.44 111.477 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.21 27.98 4.32 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.905 0.882 . . . . 74.52 111.274 174.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.558 ' HB2' ' HA ' ' A' ' 43' ' ' ARG . 86.9 t80 -64.96 104.32 0.85 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.082 0.553 . . . . 75.2 109.563 176.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -93.13 -17.48 23.72 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.015 -0.993 . . . . 71.22 108.761 168.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.55 -147.37 18.8 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 108.352 -1.899 . . . . 61.13 108.352 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -152.7 170.6 19.85 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.003 0.921 . . . . 63.21 108.693 176.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -73.65 113.04 10.33 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.438 -0.949 . . . . 71.04 108.438 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.541 ' HB2' ' HD2' ' A' ' 23' ' ' ARG . 19.7 p90 -119.86 149.88 41.37 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.563 -1.273 . . . . 75.05 107.563 173.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -84.98 147.67 26.59 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.758 0.423 . . . . 53.33 110.369 -171.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -97.0 159.37 14.95 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.143 0.577 . . . . 70.22 110.08 -172.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.9 mp -74.36 138.79 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 124.168 0.987 . . . . 72.44 109.903 -172.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -162.59 128.61 3.43 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.559 0.537 . . . . 74.54 110.186 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.64 -23.09 45.98 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.915 0.886 . . . . 71.12 112.791 -174.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -86.91 -25.64 24.31 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.624 0.37 . . . . 70.33 110.677 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -89.9 19.1 5.05 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.385 0.674 . . . . 70.33 111.375 174.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 38.0 ptt180 -113.5 110.95 21.11 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 107.559 -1.274 . . . . 62.35 107.559 159.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.0 m -103.13 158.6 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 N-CA-C 109.546 -0.539 . . . . 74.43 109.546 177.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.02 119.79 35.13 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 107.982 -1.118 . . . . 55.35 107.982 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -115.52 142.31 46.89 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.261 1.024 . . . . 55.34 110.158 -172.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -74.99 114.47 13.51 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.496 -0.557 . . . . 75.12 109.496 177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -78.56 119.15 21.43 Favored 'General case' 0 C--O 1.251 1.143 0 N-CA-C 108.56 -0.904 . . . . 71.54 108.56 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -116.48 106.58 48.37 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 106.969 -1.493 . . . . 64.41 106.969 168.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.35 148.68 92.64 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 121.862 1.708 . . . . 72.25 110.324 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.36 101.13 0.54 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.893 -0.78 . . . . 71.33 108.893 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -57.75 -31.15 66.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.914 1.286 . . . . 71.31 111.035 -177.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -139.29 95.71 9.14 Favored Pre-proline 0 CA--C 1.556 1.191 0 CA-C-N 115.121 -0.945 . . . . 73.43 108.487 167.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.18 128.92 17.27 Favored 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 122.974 2.449 . . . . 61.4 112.477 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -124.29 144.9 49.72 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.753 0.821 . . . . 73.41 110.123 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.91 114.09 21.43 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.04 -0.726 . . . . 73.05 109.04 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 20.4 m -105.19 157.66 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.052 0.941 . . . . 70.53 109.188 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 31.9 mt-10 -112.23 106.27 14.8 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.595 0.758 . . . . 63.21 109.274 -174.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.07 122.66 39.14 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.022 -1.473 . . . . 75.11 107.022 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -61.39 146.92 46.64 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.191 -0.67 . . . . 50.22 109.191 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 167' ' ' CYS . 63.8 p -114.35 158.61 21.25 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.266 0.484 . . . . 65.21 110.527 -174.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.0 p -73.64 -20.54 60.55 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 115.274 -0.876 . . . . 72.0 110.152 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 165' ' ' PHE . 75.8 ttt180 -76.84 -26.74 54.65 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.706 1.202 . . . . 70.33 111.423 175.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.01 -122.24 2.06 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 118.292 -1.282 . . . . 75.32 111.902 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -43.9 140.79 4.72 Favored 'Trans proline' 0 C--N 1.39 2.741 0 C-N-CA 124.536 3.49 . . . . 62.41 114.908 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.424 ' HB2' ' HB3' ' A' ' 74' ' ' GLU . 36.4 Cg_endo -61.52 146.82 96.66 Favored 'Trans proline' 0 C--N 1.381 2.267 0 C-N-CA 122.947 2.431 . . . . 73.23 114.114 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.78 132.36 47.57 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.763 1.225 . . . . 74.31 108.357 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 37.9 mt-10 -89.64 128.73 36.1 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.891 0.476 . . . . 74.03 110.564 -177.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.413 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 64.0 m-85 -131.42 136.18 47.79 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.463 -0.94 . . . . 72.21 108.463 176.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.9 m -82.53 142.08 32.11 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 108.881 -0.785 . . . . 64.22 108.881 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -78.99 113.5 17.16 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.567 -0.531 . . . . 71.14 109.567 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.76 -42.84 17.46 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.504 0.722 . . . . 73.25 110.701 176.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -163.6 176.03 10.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.439 -0.801 . . . . 74.23 111.898 -175.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.6 126.63 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 125.207 1.403 . . . . 73.13 107.608 167.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.46 118.4 33.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.814 0.846 . . . . 62.54 109.672 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.37 113.75 4.69 Favored Glycine 0 C--N 1.34 0.778 0 N-CA-C 110.286 -1.125 . . . . 71.04 110.286 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -135.26 -174.98 3.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.617 0.767 . . . . 73.25 109.384 -172.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -138.39 159.25 42.55 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.207 -1.035 . . . . 44.23 108.207 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.5 tp -171.48 135.16 0.9 Allowed 'General case' 0 C--O 1.247 0.93 0 N-CA-C 108.316 -0.994 . . . . 64.22 108.316 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.16 -103.28 0.83 Allowed Glycine 0 C--N 1.346 1.116 0 O-C-N 123.237 0.336 . . . . 74.34 112.689 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -121.86 3.7 10.0 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.382 1.073 . . . . 54.43 110.875 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.0 m -128.49 135.73 49.84 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.73 0.641 . . . . 61.53 112.73 -167.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -93.33 110.39 21.93 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 108.111 -1.07 . . . . 74.34 108.111 168.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -130.52 159.45 37.07 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.647 0.379 . . . . 70.11 110.38 -166.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 p -113.83 156.62 23.56 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.297 0.639 . . . . 71.21 111.067 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.4 tp -140.49 117.75 11.33 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.873 -1.158 . . . . 62.44 107.873 -175.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.8 m -87.12 125.94 34.46 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 118.326 0.512 . . . . 41.53 110.196 -173.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.437 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -99.23 127.3 45.2 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.52 1.128 . . . . 65.41 109.958 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.413 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 57.3 m-85 -107.58 145.23 33.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.565 0.746 . . . . 70.33 111.572 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.534 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 46.2 ttt85 -94.88 122.0 37.06 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.772 1.629 . . . . 74.31 108.719 175.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.612 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 48.5 t -107.74 139.94 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.869 1.268 . . . . 73.4 109.746 -176.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -55.47 102.94 0.08 Allowed 'General case' 0 CA--C 1.561 1.388 0 CA-C-O 121.791 0.805 . . . . 73.11 111.482 173.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.69 27.58 29.07 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.016 -0.993 . . . . 45.24 114.099 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.612 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.3 OUTLIER -80.08 166.81 21.14 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 109.606 -0.516 . . . . 72.32 109.606 176.072 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.2 t -95.52 -42.74 8.29 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 121.572 -0.705 . . . . 74.33 109.356 169.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.4 m -135.09 167.67 20.54 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.61 1.164 . . . . 64.32 109.519 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.0 mt -75.97 147.72 38.64 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.335 0.654 . . . . 73.12 110.425 -165.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.76 105.13 16.43 Favored 'General case' 0 C--O 1.233 0.203 0 O-C-N 124.887 1.367 . . . . 74.22 107.648 -176.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 104' ' ' ALA . 35.2 t -106.92 94.51 10.75 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 108.691 -0.855 . . . . 73.12 108.691 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.95 114.51 4.04 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 121.906 1.737 . . . . 71.52 108.488 169.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -133.75 172.35 12.89 Favored 'General case' 0 C--O 1.245 0.84 0 C-N-CA 123.583 0.753 . . . . 74.12 109.272 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.45 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.3 p -138.22 172.5 12.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.464 -1.244 . . . . 74.34 108.596 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 3.8 p30 -143.63 -163.72 1.72 Allowed 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 124.053 0.941 . . . . 62.33 108.883 177.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 179' ' ' ALA . 51.1 mt-10 -76.12 -32.97 59.43 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 122.161 -0.337 . . . . 63.53 111.507 175.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.536 HG23 ' HB1' ' A' ' 179' ' ' ALA . 0.2 OUTLIER -70.61 -25.48 63.06 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.264 0.626 . . . . 62.1 111.975 -175.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.9 p -68.1 -50.84 52.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.373 0.669 . . . . 72.22 109.882 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.78 -28.38 68.97 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.354 -0.839 . . . . 64.45 110.197 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 121' ' ' THR . 25.5 t70 -79.25 -9.27 59.53 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 125.092 1.357 . . . . 73.42 111.369 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 85.6 -7.6 75.88 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 115.039 0.776 . . . . 71.34 115.039 173.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -79.9 -15.34 57.52 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.983 0.513 . . . . 73.52 111.502 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.2 p -131.17 173.8 10.67 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.075 0.95 . . . . 72.11 108.49 164.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -68.84 108.58 3.51 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.257 0.623 . . . . 75.11 112.209 -169.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.7 -40.23 83.05 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.252 1.421 . . . . 64.2 113.553 -171.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -78.81 -1.86 36.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.166 0.586 . . . . 72.45 111.79 -176.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 138.87 157.65 7.42 Favored Glycine 0 C--N 1.349 1.281 0 N-CA-C 112.752 -0.139 . . . . 61.11 112.752 169.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.662 HH21 ' HB3' ' A' ' 154' ' ' ALA . 11.2 ptm180 -135.68 141.8 45.02 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.124 -1.065 . . . . 75.15 108.124 169.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -94.67 160.27 14.7 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.802 0.441 . . . . 74.31 110.389 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.434 HD22 HG22 ' A' ' 136' ' ' VAL . 1.0 OUTLIER -132.2 129.52 39.84 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.731 -1.211 . . . . 73.13 107.731 173.121 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.53 104.05 16.0 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 107.776 -1.194 . . . . 75.23 107.776 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.434 HG22 HD22 ' A' ' 134' ' ' LEU . 62.1 t -115.75 124.68 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 122.93 0.492 . . . . 64.01 110.89 -170.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.5 117.82 69.64 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 108.804 -0.813 . . . . 63.54 108.804 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.11 -30.47 16.17 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.49 2.127 . . . . 74.42 113.321 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 59.38 26.12 14.96 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.252 1.021 . . . . 54.3 112.303 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.73 40.58 49.01 Favored Glycine 0 C--N 1.35 1.312 0 CA-C-N 116.045 -0.525 . . . . 75.45 113.578 -168.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.03 148.42 51.03 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.06 0.544 . . . . 71.22 111.334 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.02 170.05 8.54 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 108.838 -0.801 . . . . 75.2 108.838 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -59.73 104.2 0.54 Allowed Glycine 0 C--N 1.348 1.207 0 O-C-N 123.405 0.441 . . . . 63.24 112.809 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.89 2.63 32.05 Favored Glycine 0 N--CA 1.467 0.737 0 CA-C-O 119.432 -0.649 . . . . 74.12 114.535 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.87 175.74 10.16 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 108.412 -0.958 . . . . 73.42 108.412 165.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 5' ' ' PRO . 12.7 pt-20 -128.45 145.63 51.04 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.168 0.509 . . . . 73.31 111.124 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.06 150.42 32.74 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 C-N-CA 124.934 1.294 . . . . 72.4 107.573 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.34 117.02 19.94 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.894 0.477 . . . . 63.13 110.755 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.0 mt -92.29 86.54 5.75 Favored 'General case' 0 C--O 1.248 1.024 0 N-CA-C 107.85 -1.167 . . . . 75.52 107.85 170.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 1.4 m-20 -81.22 95.76 7.04 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 113.94 -1.482 . . . . 74.45 110.166 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -66.76 -22.39 66.04 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.386 -0.598 . . . . 71.13 109.386 172.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -71.57 -25.42 62.19 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.416 -0.811 . . . . 74.13 110.838 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.494 ' HA ' HH22 ' A' ' 23' ' ' ARG . 1.6 mm? -81.26 -25.52 36.53 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.441 0.697 . . . . 62.34 112.14 176.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.662 ' HB3' HH21 ' A' ' 132' ' ' ARG . . . -47.7 150.46 1.03 Allowed 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.824 1.327 . . . . 62.31 113.624 -170.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -119.05 169.03 10.26 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.108 0.963 . . . . 73.32 110.91 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -102.46 151.03 38.14 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.076 0.951 . . . . 72.23 110.371 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -64.18 157.05 55.79 Favored 'Trans proline' 0 C--N 1.373 1.852 0 C-N-CA 122.838 2.359 . . . . 73.33 113.059 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -65.97 -28.67 69.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.806 0.842 . . . . 63.52 112.704 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 167' ' ' CYS . 11.9 m -62.33 -24.95 67.62 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.496 0.718 . . . . 75.53 112.47 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -74.58 -1.79 23.06 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.147 0.979 . . . . 73.31 112.938 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -91.24 0.35 57.54 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.737 0.815 . . . . 75.05 110.632 -175.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 93.01 32.64 7.78 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 116.218 -0.446 . . . . 44.24 112.599 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.16 166.93 25.61 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 112.422 -0.271 . . . . 43.13 112.422 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 67.2 m -91.92 70.59 5.55 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.968 0.907 . . . . 52.44 109.949 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 76.6 m-85 -95.65 179.29 5.18 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 114.969 -1.014 . . . . 73.52 108.667 173.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.408 ' OG ' ' HD3' ' A' ' 79' ' ' ARG . 11.1 m -102.38 114.8 29.29 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.269 0.628 . . . . 73.41 109.643 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 77' ' ' THR . 34.6 t -104.23 113.97 27.88 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.337 -0.986 . . . . 73.2 108.337 171.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -70.92 104.51 2.97 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.415 -0.957 . . . . 70.43 108.415 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.13 134.15 84.24 Favored Pre-proline 0 CA--C 1.548 0.904 0 O-C-N 124.352 1.033 . . . . 72.4 110.385 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.45 ' HG3' HG23 ' A' ' 118' ' ' THR . 93.0 Cg_endo -75.99 133.14 14.82 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.343 2.028 . . . . 64.5 111.715 -175.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' PRO . . . . . 0.438 ' HD2' HD22 ' A' ' 174' ' ' ASN . 44.9 Cg_exo -56.3 152.91 36.36 Favored 'Trans proline' 0 C--N 1.374 1.881 0 C-N-CA 122.391 2.06 . . . . 43.5 112.547 173.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -58.99 -26.76 64.78 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.799 0.84 . . . . 44.21 112.144 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.31 -25.06 66.87 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.484 1.114 . . . . 73.33 112.579 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.438 HD22 ' HD2' ' A' ' 171' ' ' PRO . 1.9 p30 -118.72 29.26 7.83 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.697 0.76 . . . . 73.15 110.83 -177.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -92.2 102.3 14.81 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 107.325 -1.361 . . . . 73.3 107.325 165.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.55 126.66 92.94 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.637 0.775 . . . . 53.44 109.367 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -81.48 43.61 1.56 Allowed 'Trans proline' 0 C--N 1.371 1.728 0 C-N-CA 122.756 2.304 . . . . 51.31 112.483 174.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -143.21 148.7 36.89 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.498 1.519 . . . . 62.14 107.053 176.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.536 ' HB1' HG23 ' A' ' 121' ' ' THR . . . -94.75 122.59 37.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.145 0.578 . . . . 64.04 109.985 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.73 104.76 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 108.182 -1.044 . . . . 75.21 108.182 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 181' ' ' THR . . . . . 0.518 ' HB ' HG21 ' A' ' 121' ' ' THR . 10.1 t -117.67 113.03 21.3 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 108.835 -0.802 . . . . 75.42 108.835 171.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 105.84 -1.911 . . . . 71.11 105.84 166.211 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.9 tt . . . . . 0 CA--C 1.568 1.648 0 N-CA-C 109.29 -0.633 . . . . 74.23 109.29 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -66.56 127.16 16.7 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 121.868 1.712 . . . . 73.31 110.776 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mt 179.52 -47.43 0.0 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.814 1.246 . . . . 71.33 108.359 -166.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -79.79 27.1 0.55 Allowed 'Trans proline' 0 C--N 1.402 3.346 0 C-N-CA 122.215 1.943 . . . . 75.21 112.384 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -66.4 -17.15 22.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 C-N-CA 123.844 0.857 . . . . 72.15 110.346 171.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.45 ' HB ' ' HB3' ' A' ' 148' ' ' ALA . 12.4 t -85.6 30.26 0.65 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.723 1.209 . . . . 70.12 110.662 168.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 44.48 -150.34 0.05 Allowed 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 114.073 1.138 . . . . 71.13 114.073 -173.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -120.87 150.27 41.31 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 106.072 -1.825 . . . . 71.01 106.072 172.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -38.47 -44.71 0.96 Allowed 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 115.981 1.845 . . . . 63.44 115.981 -163.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -67.66 -53.29 29.01 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.492 0.317 . . . . 73.23 110.702 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -62.56 -33.98 76.03 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.863 0.865 . . . . 74.01 111.461 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.457 ' O ' HG13 ' A' ' 19' ' ' ILE . 31.5 t90 -69.0 -52.74 25.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.835 1.254 . . . . 75.31 109.816 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.6 ttp-105 -58.14 -37.09 73.97 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.208 0.942 . . . . 74.41 110.325 175.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.31 90.63 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.692 0.62 . . . . 51.24 112.281 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 18.4 mmt180 -63.55 -48.25 78.26 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 118.389 0.541 . . . . 74.02 110.252 176.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.604 HG21 HG13 ' A' ' 54' ' ' ILE . 33.2 mt -60.69 -48.14 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 123.597 0.56 . . . . 62.1 110.841 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.79 -43.95 73.32 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.652 1.22 . . . . 72.52 111.645 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.73 97.18 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.515 0.726 . . . . 75.12 111.667 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -76.78 -26.83 54.92 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.553 0.741 . . . . 74.45 110.992 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -71.57 -53.47 13.67 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.136 -1.061 . . . . 65.23 108.136 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.98 98.02 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 124.857 1.348 . . . . 72.24 111.032 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.47 -58.3 8.7 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 123.959 0.787 . . . . 74.15 110.655 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -30.25 70.56 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.598 0.562 . . . . 75.13 111.242 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.571 ' HA ' HD21 ' A' ' 49' ' ' LEU . 11.6 t70 -66.66 -55.61 14.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.149 0.579 . . . . 75.23 109.973 177.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HA ' ' HZ ' ' A' ' 46' ' ' PHE . 11.4 pt-20 -79.81 -13.94 59.05 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 118.96 -0.543 . . . . 75.12 111.693 -176.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 35.3 t80 -49.47 -55.43 13.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.847 1.259 . . . . 71.42 111.795 -170.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.768 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.96 -11.56 60.83 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 114.362 -1.29 . . . . 53.24 111.37 -172.13 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.57 -56.33 3.06 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.67 0.788 . . . . 43.34 110.934 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.5 p -105.31 9.16 33.97 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.323 1.049 . . . . 61.34 112.95 -166.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 2.6 m80 -126.64 119.41 26.97 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.16 -0.681 . . . . 70.0 109.16 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.26 -14.21 60.17 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.116 1.366 . . . . 54.23 112.81 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -61.07 -33.23 73.01 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.697 0.799 . . . . 71.15 112.408 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 69.4 m -159.26 92.62 1.85 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 107.904 -1.147 . . . . 74.53 107.904 -173.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.69 149.17 60.52 Favored 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 122.384 2.056 . . . . 75.21 112.369 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.768 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 16.0 tt -87.91 139.82 31.02 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 107.985 -1.117 . . . . 61.4 107.985 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.64 141.72 91.16 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.107 1.871 . . . . 62.15 111.672 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -59.48 -27.42 84.93 Favored 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 123.421 2.747 . . . . 54.32 114.524 -166.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.36 83.0 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.267 0.227 . . . . 72.22 110.452 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.506 ' HB2' HG12 ' A' ' 38' ' ' ILE . 31.6 m-20 -73.46 -37.6 65.74 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 122.863 0.465 . . . . 74.04 110.05 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -57.51 -32.43 67.03 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.31 1.044 . . . . 74.1 111.664 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.67 -44.52 96.27 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 123.541 0.526 . . . . 74.45 112.086 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.58 15.88 15.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.478 0.711 . . . . 72.02 112.198 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.431 ' HZ ' ' HA ' ' A' ' 28' ' ' GLU . 82.9 t80 -74.14 103.23 4.51 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.138 0.494 . . . . 70.44 110.106 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -139.82 11.34 2.45 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.607 1.163 . . . . 75.23 109.083 173.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 130.65 145.92 5.8 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 110.586 -1.005 . . . . 61.5 110.586 -169.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -131.96 -169.21 2.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.749 0.819 . . . . 75.4 110.576 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -73.31 119.68 17.88 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.66 0.743 . . . . 55.3 112.9 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -147.95 142.98 27.0 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 106.912 -1.514 . . . . 71.33 106.912 161.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -97.28 172.01 8.06 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.725 0.41 . . . . 64.12 110.347 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.33 171.33 10.11 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.946 0.779 . . . . 74.41 111.692 -171.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.604 HG13 HG21 ' A' ' 19' ' ' ILE . 3.6 mp -81.61 131.78 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 114.852 -1.067 . . . . 72.43 109.378 175.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -124.01 110.47 14.82 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.821 -0.807 . . . . 72.42 108.821 171.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.15 -21.47 56.53 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.112 0.965 . . . . 24.21 112.342 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.5 t -80.85 -19.33 44.78 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.875 0.47 . . . . 52.44 111.012 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.576 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 22.8 m-85 -85.79 16.81 3.75 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.456 0.702 . . . . 75.24 111.405 170.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -85.89 97.79 10.42 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 107.765 -1.198 . . . . 60.31 107.765 167.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.422 HG11 HD13 ' A' ' 95' ' ' LEU . 29.2 m -101.26 142.97 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 109.06 -0.719 . . . . 72.04 109.06 174.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.75 124.82 29.95 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.41 -0.959 . . . . 72.04 108.41 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.66 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -110.81 118.86 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.511 -0.551 . . . . 74.24 109.511 -175.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -74.25 111.94 9.92 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.535 -0.913 . . . . 72.21 108.535 -172.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -78.18 117.39 19.42 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-N 114.875 -1.057 . . . . 75.32 110.029 -172.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -118.92 114.47 35.37 Favored Pre-proline 0 C--O 1.217 -0.627 0 N-CA-C 107.324 -1.361 . . . . 45.22 107.324 168.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.23 152.87 80.08 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 121.853 1.702 . . . . 41.54 110.985 175.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.52 117.22 7.69 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.051 -0.722 . . . . 53.24 109.051 174.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -54.49 -35.91 63.61 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.306 1.004 . . . . 73.12 110.926 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -135.88 101.71 10.46 Favored Pre-proline 0 C--O 1.245 0.832 0 CA-C-N 115.133 -0.939 . . . . 75.42 108.937 168.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.75 124.09 11.12 Favored 'Trans proline' 0 C--N 1.372 1.787 0 C-N-CA 122.384 2.056 . . . . 71.04 111.862 173.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -132.85 156.55 46.98 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.706 0.802 . . . . 71.02 109.897 -174.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.13 108.98 13.03 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 123.216 0.606 . . . . 75.03 109.573 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.3 m -105.89 151.88 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 108.102 -1.073 . . . . 34.3 108.102 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 119.98 41.11 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.922 -0.77 . . . . 73.23 108.922 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.429 HD23 ' HD1' ' A' ' 85' ' ' TYR . 1.9 mm? -103.08 128.29 50.02 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.034 -1.469 . . . . 74.15 107.034 174.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.73 150.28 48.76 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.187 -0.671 . . . . 74.23 109.187 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.1 p -117.11 172.53 7.22 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 121.086 0.469 . . . . 71.51 110.761 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.5 p -89.79 -31.56 17.34 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.959 -1.018 . . . . 70.45 110.267 176.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' ' 165' ' ' PHE . 37.5 ttt180 -73.77 -30.73 62.94 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.885 0.874 . . . . 74.51 112.499 -177.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.09 -122.74 1.09 Allowed Glycine 0 C--N 1.345 1.069 0 CA-C-O 118.701 -1.055 . . . . 71.12 113.04 -174.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -62.92 155.13 62.18 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 123.617 2.878 . . . . 74.51 113.204 -173.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.59 132.74 36.64 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.543 2.162 . . . . 73.0 112.472 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.49 117.23 27.29 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.174 -0.921 . . . . 51.42 108.879 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -89.9 130.23 36.15 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.571 0.348 . . . . 62.54 110.536 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.461 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 81.6 m-85 -131.53 153.37 49.9 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.093 0.957 . . . . 64.24 109.09 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.3 m -91.39 119.41 31.37 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 109.166 -0.679 . . . . 74.41 109.166 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -68.13 111.92 4.77 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.86 0.754 . . . . 74.11 109.3 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -94.71 -39.64 10.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.0 0.52 . . . . 74.2 111.634 -171.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . . . -151.47 170.02 20.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.487 0.66 . . . . 43.22 110.612 -172.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.27 115.09 13.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 C-N-CA 125.866 1.666 . . . . 65.24 106.817 172.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.66 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 2.6 mm? -90.16 128.65 36.4 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.427 0.691 . . . . 75.14 109.536 177.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.23 121.52 4.46 Favored Glycine 0 C--O 1.218 -0.848 0 N-CA-C 111.042 -0.823 . . . . 61.04 111.042 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.592 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 54.3 p90 -144.49 -173.74 4.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.24 0.616 . . . . 74.03 109.459 -172.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -133.15 146.73 51.84 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.076 0.465 . . . . 71.44 110.17 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.422 HD13 HG11 ' A' ' 60' ' ' VAL . 38.7 tp -142.83 135.22 27.54 Favored 'General case' 0 C--O 1.256 1.434 0 N-CA-C 107.066 -1.457 . . . . 74.32 107.066 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.48 -97.57 0.62 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 112.283 -0.327 . . . . 54.11 112.283 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -134.72 5.02 3.37 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.481 1.112 . . . . 52.34 110.303 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.8 m -128.7 149.98 50.45 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 112.146 0.425 . . . . 63.24 112.146 -168.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -87.97 124.53 33.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.517 -0.765 . . . . 74.22 109.443 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -121.53 136.48 54.95 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.963 0.905 . . . . 70.33 109.017 -177.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 m -127.95 119.49 25.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.295 0.638 . . . . 74.44 109.33 -175.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -114.22 139.07 49.68 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.813 1.245 . . . . 64.52 108.595 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.3 m -90.74 130.48 36.72 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.386 -0.598 . . . . 62.53 109.386 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . . . -98.01 121.9 40.48 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.728 0.811 . . . . 62.35 108.92 175.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.461 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 65.6 m-85 -97.62 168.77 10.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.261 -0.644 . . . . 63.4 109.261 175.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.58 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 22.0 ttt180 -115.67 133.3 56.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.691 1.196 . . . . 75.4 108.066 -175.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.742 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 28.6 t -97.56 113.7 32.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 N-CA-C 107.054 -1.462 . . . . 64.41 107.054 166.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -55.58 125.98 23.39 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 122.932 0.493 . . . . 73.23 110.797 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 94.79 -34.01 5.02 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.627 -0.715 . . . . 55.13 112.327 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.742 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 11.1 tp10 -83.89 129.37 34.93 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.453 0.701 . . . . 65.31 110.055 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -75.56 -22.79 56.72 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.546 0.739 . . . . 74.45 111.831 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.2 m -85.91 140.72 30.12 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.848 0.459 . . . . 63.25 110.017 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.3 mt -82.14 141.51 33.02 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.282 0.633 . . . . 62.21 109.303 174.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -100.42 110.63 22.84 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.222 -1.029 . . . . 74.41 108.222 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.1 t -107.85 93.18 10.11 Favored Pre-proline 0 N--CA 1.47 0.536 0 N-CA-C 108.655 -0.868 . . . . 71.21 108.655 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.97 120.36 5.01 Favored 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.202 1.935 . . . . 52.32 109.749 171.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -138.0 171.89 13.75 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.966 0.906 . . . . 74.14 110.212 -176.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -138.61 169.01 18.55 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.67 1.188 . . . . 64.3 108.083 172.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.436 ' HA ' ' O ' ' A' ' 176' ' ' VAL . 3.8 p-10 -156.04 -163.29 1.45 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 123.693 0.62 . . . . 63.41 109.731 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -78.56 -35.15 46.41 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.727 0.694 . . . . 73.32 111.408 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.5 m -59.61 -38.41 81.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.641 0.777 . . . . 73.34 111.333 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.554 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 57.4 p -66.02 -42.17 90.02 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 116.026 -0.533 . . . . 74.53 111.168 174.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.54 -15.2 62.75 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.685 0.794 . . . . 73.02 112.852 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -72.38 -22.42 61.14 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.849 0.314 . . . . 74.32 111.849 172.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.08 9.12 87.38 Favored Glycine 0 C--N 1.348 1.209 0 N-CA-C 111.177 -0.769 . . . . 64.44 111.177 -163.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -78.84 -28.59 44.34 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.316 1.446 . . . . 75.13 109.581 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.2 p -137.11 -178.13 5.07 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.449 1.5 . . . . 74.33 107.59 164.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.478 ' HB2' ' HD2' ' A' ' 132' ' ' ARG . 15.1 m-85 -80.06 110.38 15.4 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 112.91 0.708 . . . . 75.43 112.91 -169.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.554 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 13.6 pt-20 -66.37 -17.95 65.07 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.374 1.07 . . . . 72.01 112.986 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.412 ' O ' HD13 ' A' ' 169' ' ' LEU . 72.3 m80 -73.38 -2.26 21.54 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.602 0.361 . . . . 75.1 111.866 177.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.471 ' O ' ' SG ' ' A' ' 167' ' ' CYS . . . 97.95 144.01 16.08 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 111.601 -0.6 . . . . 60.35 111.601 166.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.478 ' HD2' ' HB2' ' A' ' 128' ' ' TYR . 2.6 mmp_? -131.72 159.23 39.0 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.602 1.161 . . . . 74.44 108.572 -166.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.3 166.47 12.29 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.543 0.687 . . . . 74.45 110.796 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.4 tt -140.63 122.36 15.33 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 106.288 -1.745 . . . . 71.11 106.288 164.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -92.04 108.11 19.7 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.394 -0.965 . . . . 74.43 108.394 -176.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 51.9 t -113.17 127.16 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 115.675 -0.693 . . . . 74.52 109.831 -169.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.08 107.44 57.13 Favored Pre-proline 0 C--O 1.24 0.585 0 N-CA-C 107.947 -1.131 . . . . 73.33 107.947 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.49 ' HA ' HG11 ' A' ' 147' ' ' VAL . 88.6 Cg_endo -77.97 -8.25 16.59 Favored 'Trans proline' 0 C--N 1.364 1.374 0 C-N-CA 122.508 2.139 . . . . 64.21 113.636 -177.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.74 -90.76 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.172 1.389 . . . . 73.4 111.032 -174.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -141.74 53.32 0.64 Allowed Glycine 0 C--N 1.341 0.851 0 N-CA-C 111.856 -0.498 . . . . 74.1 111.856 173.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -80.14 139.01 37.0 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.275 0.63 . . . . 62.24 110.879 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -114.89 174.09 6.15 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 108.461 -0.94 . . . . 73.53 108.461 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.68 114.88 7.3 Favored Glycine 0 C--N 1.349 1.278 0 N-CA-C 111.905 -0.478 . . . . 40.21 111.905 176.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 112.66 -16.47 23.75 Favored Glycine 0 N--CA 1.468 0.789 0 O-C-N 123.729 0.311 . . . . 74.32 112.624 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -80.25 -170.5 2.55 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.817 -0.438 . . . . 54.23 109.817 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -147.39 160.99 41.92 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.432 0.634 . . . . 70.5 110.632 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.49 HG11 ' HA ' ' A' ' 138' ' ' PRO . 15.9 m -139.91 143.81 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.884 1.274 . . . . 72.24 108.109 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.45 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -77.8 115.98 17.97 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.905 0.383 . . . . 45.45 110.792 -173.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 14.8 mt -95.05 85.71 4.41 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 108.25 -1.019 . . . . 74.53 108.25 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.43 ' HB2' HD23 ' A' ' 153' ' ' LEU . 2.5 m-20 -75.31 102.82 5.21 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 107.6 -1.259 . . . . 65.21 107.6 167.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.576 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 26.6 m-85 -65.61 -16.37 63.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.28 0.632 . . . . 71.32 111.995 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -71.53 -17.85 62.3 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 122.14 0.176 . . . . 45.42 111.334 175.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.468 HD11 HG12 ' A' ' 19' ' ' ILE . 2.9 mm? -93.05 13.46 20.73 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.273 0.629 . . . . 64.1 111.683 172.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.83 120.46 6.86 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.826 -0.435 . . . . 30.32 109.826 172.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -97.54 135.82 38.83 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.807 0.843 . . . . 55.34 110.028 -171.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -117.08 127.53 26.64 Favored Pre-proline 0 C--O 1.24 0.587 0 CA-C-N 114.976 -1.011 . . . . 72.43 108.976 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -48.47 164.03 0.23 Allowed 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 123.284 2.656 . . . . 73.44 113.892 166.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -75.08 0.68 15.29 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.786 -1.097 . . . . 70.41 113.037 -171.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 29.8 p -65.06 -22.67 67.0 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.444 0.698 . . . . 74.43 111.172 172.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.456 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . . . -82.21 -17.06 47.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.036 0.535 . . . . 53.43 110.676 174.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' TYR . . . . . 0.451 ' CD2' HD11 ' A' ' 30' ' ' LEU . 8.0 m-85 -101.44 -13.35 17.99 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.557 1.143 . . . . 63.11 110.375 -173.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 125.11 -26.98 5.46 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 119.799 -0.445 . . . . 52.35 113.481 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -90.47 142.14 16.19 Favored Glycine 0 N--CA 1.479 1.548 0 CA-C-N 117.607 0.703 . . . . 75.25 112.928 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 23.8 p -91.49 86.22 5.98 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.02 0.91 . . . . 73.53 109.999 -176.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 79' ' ' ARG . 96.7 m-85 -113.64 160.43 18.59 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.57 0.748 . . . . 75.42 110.825 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 20.5 p -71.6 140.72 49.9 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.926 0.89 . . . . 53.42 112.37 -171.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 131' ' ' GLY . 47.3 t -133.59 129.06 36.45 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.973 -0.751 . . . . 61.03 108.973 173.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.81 113.4 10.91 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 124.27 0.981 . . . . 65.0 109.433 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 130' ' ' HIS . 4.2 mm? -58.87 120.71 48.75 Favored Pre-proline 0 CA--C 1.545 0.782 0 O-C-N 124.125 0.891 . . . . 74.14 109.018 171.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.74 153.13 73.69 Favored 'Trans proline' 0 C--N 1.365 1.445 0 C-N-CA 122.463 2.108 . . . . 75.1 112.504 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.61 149.63 90.47 Favored 'Trans proline' 0 C--N 1.372 1.768 0 C-N-CA 121.93 1.754 . . . . 72.3 110.433 164.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -53.73 -27.25 27.27 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.9 1.074 . . . . 64.1 113.9 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -79.26 -17.65 54.31 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 122.92 0.488 . . . . 74.12 111.159 -178.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.59 4.73 30.87 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.111 0.565 . . . . 52.42 110.899 173.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -88.81 116.55 27.17 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 108.156 -1.053 . . . . 55.35 108.156 171.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 119' ' ' ASP . 58.7 t -92.34 114.0 60.98 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.39 1.076 . . . . 63.13 109.05 177.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -67.23 58.42 0.64 Allowed 'Trans proline' 0 CA--C 1.563 1.926 0 C-N-CA 122.826 2.35 . . . . 62.24 113.422 167.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -148.83 146.16 27.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.679 1.191 . . . . 64.41 107.881 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -90.58 108.28 19.7 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.04 0.536 . . . . 52.21 109.939 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 180' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.3 mp -96.8 97.05 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.16 -1.052 . . . . 73.14 108.16 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 18.4 p -95.38 65.6 2.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.149 0.976 . . . . 42.34 109.728 174.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-N 114.401 -1.272 . . . . 73.02 108.334 177.323 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.4 tt . . . . . 0 CA--C 1.564 1.489 0 N-CA-C 108.55 -0.907 . . . . 72.44 108.55 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -65.56 126.88 16.91 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 122.587 2.191 . . . . 73.05 110.872 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.5 mt -154.82 -56.17 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 125.223 1.409 . . . . 70.4 108.975 -173.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -89.45 37.38 0.38 Allowed 'Trans proline' 0 C--N 1.397 3.09 0 C-N-CA 122.12 1.88 . . . . 62.23 111.349 176.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -61.7 -17.9 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.287 1.035 . . . . 72.12 111.056 170.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.91 105.42 17.56 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 105.664 -1.976 . . . . 70.34 105.664 158.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.02 -75.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.383 0.673 . . . . 64.45 111.215 -165.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -139.78 161.27 37.96 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 125.118 1.367 . . . . 75.33 107.986 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -51.38 -34.77 35.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.095 0.958 . . . . 70.2 112.57 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.32 -59.56 5.09 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.514 0.726 . . . . 71.41 110.576 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.42 94.25 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.11 0.964 . . . . 64.41 110.811 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.485 ' O ' HG13 ' A' ' 19' ' ' ILE . 50.1 t90 -61.87 -63.71 1.17 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.604 1.561 . . . . 74.42 110.022 -177.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 ttm-85 -58.48 -41.0 84.29 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.326 1.05 . . . . 73.11 110.761 -177.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.55 97.24 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 123.898 0.749 . . . . 60.43 111.758 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -62.11 -46.73 87.76 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.705 0.802 . . . . 74.35 111.184 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 15' ' ' TRP . 9.7 mt -72.67 -39.0 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 123.506 0.504 . . . . 74.31 111.045 -174.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.83 95.87 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.885 0.741 . . . . 70.03 109.842 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.45 73.23 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 124.117 0.886 . . . . 72.53 111.233 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -70.92 -50.17 37.76 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.238 1.015 . . . . 63.04 111.196 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -71.37 -34.5 70.5 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.055 -0.521 . . . . 72.55 110.436 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 -34.27 71.77 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 122.146 0.178 . . . . 60.51 110.757 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -57.25 -50.62 72.31 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.802 0.841 . . . . 62.42 110.894 172.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -64.93 -38.67 91.74 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-O 118.923 -0.56 . . . . 71.2 110.799 177.144 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.461 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -52.79 -52.14 57.91 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.187 0.595 . . . . 75.01 111.393 176.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -77.26 -27.45 53.21 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.466 0.479 . . . . 74.33 111.543 -177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -57.58 -64.88 0.75 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.221 0.608 . . . . 71.5 111.763 -175.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.531 HD23 HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -77.64 -8.09 57.38 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 112.382 0.512 . . . . 73.54 112.382 -176.484 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.71 -39.35 24.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.89 0.476 . . . . 53.13 110.653 173.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.1 p -107.64 -57.09 2.14 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.455 0.539 . . . . 61.43 112.455 -175.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -58.53 144.97 40.82 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.772 0.829 . . . . 64.21 113.074 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -78.6 -22.14 47.49 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 114.165 -1.38 . . . . 73.33 111.005 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -60.01 -30.35 69.09 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.65 1.18 . . . . 54.14 112.621 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -144.39 100.74 4.79 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 106.682 -1.599 . . . . 70.23 106.682 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' O ' ' HA3' ' A' ' 163' ' ' GLY . 74.0 Cg_endo -82.29 145.5 13.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 121.732 1.621 . . . . 75.21 112.297 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.531 HD11 HD23 ' A' ' 30' ' ' LEU . 32.8 mt -90.32 136.22 28.76 Favored Pre-proline 0 N--CA 1.48 1.029 0 N-CA-C 106.675 -1.602 . . . . 73.53 106.675 159.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.04 143.98 95.47 Favored 'Trans proline' 0 C--N 1.387 2.601 0 C-N-CA 122.733 2.289 . . . . 53.14 111.546 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -54.21 -36.37 85.72 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.175 2.583 . . . . 73.33 113.303 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.9 -50.14 63.38 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 123.764 0.665 . . . . 64.22 111.566 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.12 -23.79 62.16 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.51 0.724 . . . . 74.03 111.902 -177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -63.8 -26.77 68.78 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.271 0.628 . . . . 70.34 110.969 175.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.41 -37.81 95.26 Favored Glycine 0 C--N 1.354 1.535 0 N-CA-C 112.059 -0.416 . . . . 44.33 112.059 173.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.99 -10.85 59.66 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.366 0.876 . . . . 61.54 113.366 174.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -77.53 106.58 9.4 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 118.614 0.643 . . . . 74.12 110.062 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -109.97 -37.13 5.69 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 106.909 -1.515 . . . . 73.32 106.909 163.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.75 146.62 7.99 Favored Glycine 0 C--O 1.246 0.882 0 N-CA-C 108.795 -1.722 . . . . 71.53 108.795 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.22 118.39 5.43 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 123.041 0.536 . . . . 73.33 109.896 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -73.75 127.05 31.76 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.313 -0.995 . . . . 64.22 108.313 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.81 171.95 15.94 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 123.815 0.697 . . . . 71.52 112.6 -170.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -77.79 156.67 30.37 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 114.23 -1.35 . . . . 51.05 109.842 173.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -97.05 177.55 5.56 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.375 -0.829 . . . . 65.44 111.089 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.9 mm -85.33 112.86 22.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.432 -0.804 . . . . 71.35 110.476 -165.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -122.6 127.48 49.47 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.186 0.594 . . . . 64.33 111.237 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.55 -15.22 58.08 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.586 1.154 . . . . 75.21 113.742 -171.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -68.3 -20.49 64.76 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 118.231 0.469 . . . . 72.21 111.076 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -73.06 8.42 1.61 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.082 0.953 . . . . 73.52 113.453 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HD3' ' HB3' ' A' ' 150' ' ' ASP . 11.8 tpp180 -78.74 94.06 5.05 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.462 0.705 . . . . 72.34 109.95 -176.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 m -102.03 143.24 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 108.917 -0.771 . . . . 71.41 108.917 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.47 130.48 40.83 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.873 -0.788 . . . . 71.41 108.873 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.69 135.62 55.07 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.89 0.476 . . . . 72.54 110.654 -174.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -74.91 120.4 20.39 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.55 0.74 . . . . 72.12 109.59 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -88.2 125.02 34.41 Favored 'General case' 0 C--O 1.247 0.927 0 C-N-CA 124.021 0.928 . . . . 70.11 109.864 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -131.56 104.9 14.45 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.861 0.864 . . . . 74.14 109.45 172.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -69.53 148.93 67.69 Favored 'Trans proline' 0 C--N 1.371 1.716 0 C-N-CA 121.946 1.764 . . . . 72.12 110.042 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.73 102.38 8.06 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.884 -0.784 . . . . 43.11 108.884 -176.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -59.23 -24.89 63.55 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.898 0.879 . . . . 73.44 110.507 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -123.67 84.03 53.7 Favored Pre-proline 0 CA--C 1.558 1.257 0 C-N-CA 124.901 1.28 . . . . 74.14 108.44 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -81.88 132.32 7.44 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.173 1.915 . . . . 71.04 111.761 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 86' ' ' THR . 12.7 pt-20 -140.4 157.37 45.64 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.056 0.542 . . . . 71.52 110.589 -177.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.85 113.02 21.06 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 123.848 0.717 . . . . 61.22 109.283 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 17.1 m -105.91 156.26 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.377 1.071 . . . . 62.12 108.536 178.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.63 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 43.6 mt-10 -109.87 107.79 17.86 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 123.518 0.727 . . . . 53.13 109.462 -171.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 170' ' ' PRO . 1.2 mm? -101.76 134.44 44.92 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.47 -1.307 . . . . 74.51 107.47 177.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.25 149.55 49.35 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.013 -0.736 . . . . 74.53 109.013 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.3 p -119.15 168.41 10.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.797 0.439 . . . . 74.3 110.568 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.3 p -89.98 -23.94 21.38 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.057 -0.974 . . . . 51.53 109.87 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -32.92 72.29 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.022 0.929 . . . . 73.35 111.667 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.91 -123.86 1.28 Allowed Glycine 0 CA--C 1.523 0.569 0 CA-C-O 118.09 -1.395 . . . . 40.11 111.19 -174.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -64.6 147.84 90.24 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.95 2.434 . . . . 53.1 111.974 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -58.13 145.45 92.3 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 123.136 2.557 . . . . 53.41 113.217 -174.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.92 129.72 44.33 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 123.831 0.852 . . . . 62.25 109.658 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.63 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 45.9 mt-10 -93.03 121.22 34.14 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.024 0.53 . . . . 74.51 109.954 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.43 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 60.6 m-85 -123.69 141.79 51.69 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.249 -1.019 . . . . 74.14 108.249 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 71' ' ' GLU . 37.1 m -84.64 144.08 28.82 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.869 -0.419 . . . . 62.43 109.869 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.7 mtm105 -75.19 108.74 8.15 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.011 -0.737 . . . . 71.24 109.011 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -87.49 -48.06 8.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.185 0.594 . . . . 74.43 111.51 178.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -152.54 173.68 14.86 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.303 0.641 . . . . 74.12 110.385 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.1 t -136.05 125.07 38.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.067 0 C-N-CA 124.761 1.224 . . . . 72.22 107.742 173.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.15 123.6 48.27 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.814 0.846 . . . . 74.52 110.79 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.87 121.12 5.74 Favored Glycine 0 N--CA 1.476 1.358 0 CA-C-O 119.596 -0.558 . . . . 72.13 112.263 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -152.87 -174.31 4.88 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 117.761 0.781 . . . . 75.25 110.479 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.525 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 7.9 p-10 -138.38 157.68 45.75 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.754 0.822 . . . . 64.31 110.217 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.4 tp -160.27 140.31 11.42 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.443 1.097 . . . . 60.34 108.804 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.83 -107.23 1.92 Allowed Glycine 0 C--N 1.351 1.4 0 N-CA-C 112.293 -0.323 . . . . 75.01 112.293 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.76 6.82 9.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.31 1.044 . . . . 53.15 110.152 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.3 m -132.87 131.33 40.84 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.561 0.578 . . . . 75.3 112.561 -171.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 6.4 p80 -88.2 137.54 32.24 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.673 -0.862 . . . . 73.42 108.673 170.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -141.54 151.01 42.86 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.463 0.649 . . . . 65.44 110.271 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.1 m -125.63 119.23 27.49 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.23 -1.35 . . . . 64.23 107.602 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 84.3 mt -107.72 150.83 26.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.486 0.714 . . . . 64.14 110.096 -175.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.6 m -93.23 126.69 38.47 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.929 -0.767 . . . . 73.42 108.929 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -95.83 125.13 40.19 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.32 1.048 . . . . 61.5 108.519 174.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 29.3 m-85 -98.96 155.51 17.38 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.917 0.389 . . . . 64.11 110.782 -177.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.51 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 78.8 ttt180 -92.87 115.68 28.34 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.332 -0.988 . . . . 72.25 108.332 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.17 108.72 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.6 -1.259 . . . . 75.52 107.6 169.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.91 138.93 57.7 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.955 -1.02 . . . . 71.25 110.763 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 87.97 -25.41 8.81 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 116.33 -0.395 . . . . 43.21 112.847 -174.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -106.16 127.3 53.11 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.619 1.168 . . . . 75.3 109.853 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.3 t -73.76 -18.79 60.93 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.179 0.992 . . . . 50.23 111.901 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 48.7 m -84.03 140.04 32.12 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.016 0.526 . . . . 72.43 109.692 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.411 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 31.5 mt -82.06 145.63 30.09 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.356 1.063 . . . . 75.34 109.037 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.52 102.44 10.79 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.721 -0.844 . . . . 72.22 108.721 -171.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.7 t -105.14 104.18 45.79 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 123.575 0.75 . . . . 70.34 110.16 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -91.16 128.07 1.2 Allowed 'Trans proline' 0 C--N 1.368 1.596 0 C-N-CA 123.127 2.551 . . . . 75.32 112.272 174.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.647 ' HA ' ' HB2' ' A' ' 174' ' ' ASN . 21.4 p90 -146.7 172.71 13.2 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.655 0.782 . . . . 74.2 110.224 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 39.7 p -133.56 168.64 18.29 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 108.555 -0.906 . . . . 72.42 108.555 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -162.81 -165.06 1.07 Allowed 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.23 0.331 . . . . 74.2 111.777 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.25 -31.55 43.55 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.424 0.528 . . . . 65.03 112.424 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.3 m -70.72 -34.48 71.94 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.026 0.531 . . . . 74.03 110.627 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.712 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 20.9 p -68.58 -40.39 80.56 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 115.72 -0.673 . . . . 74.34 110.433 170.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.73 -32.3 70.42 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.971 0.908 . . . . 72.13 111.907 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -63.31 -21.35 66.2 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.8 0.84 . . . . 74.23 112.981 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 70.36 8.56 62.7 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 123.454 0.471 . . . . 74.52 113.921 -172.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.561 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 5.4 mmp_? -92.59 -4.86 52.73 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.989 0.515 . . . . 54.14 110.4 175.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 28.7 p -129.33 155.93 44.84 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 106.27 -1.752 . . . . 64.45 106.27 156.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -63.4 115.07 4.28 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.009 0.433 . . . . 74.31 110.941 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.712 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 1.7 pp20? -70.24 -12.75 61.81 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.276 1.03 . . . . 63.22 113.283 -174.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 25.0 m80 -66.65 -20.65 66.03 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 123.355 0.409 . . . . 72.43 111.068 -172.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 157' ' ' PRO . . . 163.56 146.07 4.59 Favored Glycine 0 C--N 1.338 0.685 0 CA-C-N 115.799 -0.637 . . . . 62.21 111.667 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.512 ' HD2' ' HB1' ' A' ' 154' ' ' ALA . 10.1 tpp180 -112.48 141.87 45.71 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.179 -1.415 . . . . 63.34 107.179 168.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -111.1 170.54 8.04 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.81 0.732 . . . . 73.52 110.516 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.2 tt -149.84 122.77 8.76 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 106.431 -1.692 . . . . 65.23 106.431 167.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -96.78 103.66 15.6 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 107.906 -1.146 . . . . 60.52 107.906 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.0 t -99.77 124.57 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 115.057 -0.974 . . . . 73.45 110.38 -171.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -86.0 118.84 71.19 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 108.109 -1.071 . . . . 62.31 108.109 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.1 -32.04 75.31 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.779 2.319 . . . . 73.22 112.974 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 47.25 43.4 14.78 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.426 1.09 . . . . 54.34 113.27 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 66.26 33.61 85.58 Favored Glycine 0 C--N 1.347 1.142 0 N-CA-C 114.78 0.672 . . . . 73.11 114.78 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -83.3 158.11 22.35 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.954 0.502 . . . . 71.23 110.686 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -143.63 -175.45 4.57 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 108.272 -1.01 . . . . 65.01 108.272 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -66.34 117.67 9.9 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 117.932 0.333 . . . . 53.42 112.44 -173.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.31 3.57 58.68 Favored Glycine 0 N--CA 1.467 0.732 0 O-C-N 123.742 0.319 . . . . 44.4 112.73 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -87.26 -178.37 6.19 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.966 -1.124 . . . . 74.2 107.966 164.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -137.14 163.5 30.69 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.796 0.331 . . . . 64.14 110.477 174.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 21.6 m -134.22 153.87 36.6 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 C-N-CA 124.171 0.988 . . . . 61.54 108.994 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -82.09 113.87 20.24 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 108.987 -0.746 . . . . 53.41 108.987 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.9 mt -112.99 86.4 2.37 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.365 -0.976 . . . . 75.52 108.365 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.434 ' HB3' ' HD3' ' A' ' 59' ' ' ARG . 8.3 p-10 -99.72 123.94 44.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.311 -0.996 . . . . 44.22 108.311 171.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.458 ' HB3' HG23 ' A' ' 180' ' ' ILE . 58.9 m-85 -69.6 -12.33 61.56 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 114.465 -1.243 . . . . 71.24 113.484 -168.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -68.33 -8.42 39.77 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 111.858 0.318 . . . . 74.23 111.858 170.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.58 -0.41 57.32 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.611 0.764 . . . . 64.54 112.284 167.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 132' ' ' ARG . . . -52.28 127.68 22.85 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.535 0.522 . . . . 61.31 110.672 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -96.54 155.16 16.88 Favored 'General case' 0 C--O 1.255 1.343 0 CA-C-O 122.063 0.935 . . . . 74.22 109.698 -169.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ASN . . . . . 0.548 HD21 ' HB3' ' A' ' 160' ' ' ALA . 0.2 OUTLIER -96.85 121.95 58.04 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 113.356 -1.747 . . . . 73.12 108.887 -168.308 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 157' ' ' PRO . . . . . 0.449 ' HG3' ' O ' ' A' ' 131' ' ' GLY . 65.9 Cg_endo -68.24 144.99 64.67 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.652 2.235 . . . . 71.21 110.654 173.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.474 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 27.0 m-85 -73.77 -11.51 60.41 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.677 0.621 . . . . 63.31 112.677 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 165' ' ' PHE . 30.4 p -60.82 -28.46 68.81 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.303 0.641 . . . . 40.24 111.31 169.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.548 ' HB3' HD21 ' A' ' 156' ' ' ASN . . . -81.33 5.16 18.19 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.718 1.007 . . . . 73.3 113.718 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 52.6 m-85 -114.81 -8.49 12.59 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.081 0.552 . . . . 63.3 110.14 178.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 91.49 -51.88 3.04 Favored Glycine 0 C--N 1.352 1.438 0 CA-C-O 119.65 -0.528 . . . . 55.43 113.969 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 37' ' ' PRO . . . -64.53 -97.73 0.02 OUTLIER Glycine 0 C--N 1.36 1.87 0 CA-C-O 119.202 -0.777 . . . . 62.14 114.305 -170.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.6 t -64.32 85.99 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.269 1.034 . . . . 71.15 109.469 166.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 159' ' ' CYS . 26.8 p90 -84.12 76.53 10.07 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.749 0.785 . . . . 75.24 110.71 -171.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.8 p -119.27 117.24 28.06 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.283 0.633 . . . . 73.33 112.016 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 130' ' ' HIS . 28.1 p -147.4 147.24 30.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.198 0.999 . . . . 65.41 108.661 164.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -109.27 113.03 25.52 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.541 0.736 . . . . 54.15 109.83 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.2 mp -81.66 117.98 70.39 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 124.995 1.318 . . . . 72.12 109.861 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.1 Cg_endo -84.77 173.63 8.14 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 123.65 2.9 . . . . 63.45 112.316 176.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.15 156.7 28.46 Favored 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 122.465 2.11 . . . . 71.14 112.517 169.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -57.08 -12.98 2.44 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 115.743 1.757 . . . . 73.31 115.743 -168.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.71 -6.37 44.04 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 122.93 0.492 . . . . 71.34 111.434 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.647 ' HB2' ' HA ' ' A' ' 117' ' ' PHE . 23.8 p-10 -78.06 -10.14 59.47 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.517 0.727 . . . . 73.5 111.411 177.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -89.02 102.06 14.71 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 123.048 0.539 . . . . 73.14 109.962 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 53.7 t -79.95 118.55 73.0 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 107.804 -1.184 . . . . 63.34 107.804 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -75.88 62.11 6.48 Favored 'Trans proline' 0 C--N 1.371 1.712 0 C-N-CA 122.617 2.212 . . . . 63.34 112.02 175.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -151.42 155.99 39.74 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.723 1.209 . . . . 54.54 108.896 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -84.31 108.71 17.31 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.343 0.657 . . . . 72.32 110.016 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' ILE . . . . . 0.458 HG23 ' HB3' ' A' ' 151' ' ' PHE . 2.0 mp -97.25 89.31 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 104.859 -2.274 . . . . 44.45 104.859 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.52 65.85 7.84 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.237 -0.892 . . . . 71.45 110.019 -173.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.525 0 CA-C-N 114.271 -1.332 . . . . 73.3 107.45 175.351 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.1 tt . . . . . 0 CA--C 1.561 1.369 0 N-CA-C 107.204 -1.406 . . . . 62.42 107.204 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -61.11 124.77 15.5 Favored 'Trans proline' 0 C--N 1.378 2.097 0 CA-C-N 120.772 1.311 . . . . 72.33 112.003 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mt 172.78 -55.15 0.0 OUTLIER Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 125.607 1.563 . . . . 63.34 108.242 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -83.5 24.5 0.75 Allowed 'Trans proline' 0 C--N 1.406 3.568 0 C-N-CA 122.628 2.219 . . . . 71.54 112.238 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 m -63.89 -12.01 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.971 1.308 . . . . 74.15 112.181 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 t -88.17 33.66 0.74 Allowed 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 125.668 1.587 . . . . 73.13 110.479 170.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 26.4 -104.79 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 126.388 1.875 . . . . 75.22 114.066 -169.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -136.6 157.47 46.7 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 105.299 -2.111 . . . . 65.31 105.299 168.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 21.3 t70 -47.03 -42.15 17.81 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 113.135 0.791 . . . . 75.44 113.135 -173.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.79 -59.14 5.9 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.59 0.756 . . . . 74.13 111.588 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.31 97.33 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.028 -0.987 . . . . 41.03 111.512 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.487 ' O ' HG13 ' A' ' 19' ' ' ILE . 49.8 t90 -61.37 -44.49 97.07 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.946 1.298 . . . . 74.42 110.906 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 11.7 ttt85 -65.99 -44.32 85.19 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.516 1.126 . . . . 74.22 109.287 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.02 85.9 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 115.072 -0.967 . . . . 61.53 111.586 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -62.57 -47.66 82.87 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 123.005 0.522 . . . . 75.51 110.675 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.544 HG12 HD11 ' A' ' 153' ' ' LEU . 54.1 mt -60.95 -48.25 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.345 0.258 . . . . 54.13 110.407 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.47 -44.14 80.28 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 124.126 0.891 . . . . 73.42 110.888 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.9 -49.98 72.65 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.308 -0.86 . . . . 63.25 111.573 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -75.7 -30.34 59.28 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.831 0.852 . . . . 71.32 112.158 -175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -75.78 -42.79 49.2 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 108.627 -0.879 . . . . 62.22 108.627 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.01 -30.22 67.47 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.068 -0.969 . . . . 32.05 110.757 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.489 ' HA ' ' HG2' ' A' ' 28' ' ' GLU . 27.4 t70 -65.48 -41.32 93.43 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 123.381 0.426 . . . . 73.04 110.272 171.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -64.98 -37.64 88.33 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.717 0.407 . . . . 72.24 111.184 175.333 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.8 -42.23 86.3 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 122.831 0.452 . . . . 73.21 111.232 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HG2' ' HA ' ' A' ' 25' ' ' ASP . 10.0 pt-20 -80.73 -24.4 38.78 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 119.113 -0.47 . . . . 73.12 112.06 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.483 ' HB3' HD13 ' A' ' 30' ' ' LEU . 56.0 t80 -49.85 -61.97 1.83 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.724 1.21 . . . . 65.12 111.344 -172.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.751 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.57 -4.48 31.0 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-N 115.093 -0.958 . . . . 55.2 112.244 -173.817 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.9 -43.16 9.11 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.576 0.75 . . . . 74.24 110.416 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 28' ' ' GLU . 14.7 t -121.4 33.19 5.61 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.821 0.82 . . . . 74.15 111.466 -172.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -142.02 115.22 8.84 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.975 -1.011 . . . . 71.03 109.982 174.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.01 -33.68 72.33 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.144 1.377 . . . . 75.45 112.375 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -72.81 -8.46 55.6 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.326 0.65 . . . . 75.22 112.449 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -156.49 77.25 4.31 Favored Pre-proline 0 N--CA 1.477 0.913 0 N-CA-C 107.075 -1.454 . . . . 63.3 107.075 173.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -92.89 151.43 2.7 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 122.93 2.42 . . . . 60.51 112.977 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.751 HG13 ' HB2' ' A' ' 30' ' ' LEU . 15.7 mt -76.33 127.27 85.13 Favored Pre-proline 0 CA--C 1.554 1.117 0 N-CA-C 107.017 -1.475 . . . . 72.25 107.017 164.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -46.01 140.77 10.0 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 124.282 3.321 . . . . 74.02 113.341 -175.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -47.84 -39.26 31.5 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 124.094 3.196 . . . . 75.45 114.834 -165.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.27 -47.57 79.06 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 121.287 0.565 . . . . 65.11 111.093 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.4 -25.35 59.42 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.032 0.933 . . . . 70.44 111.168 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -62.76 -35.41 79.73 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.528 1.131 . . . . 54.41 110.532 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.98 -39.19 63.84 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.129 -0.788 . . . . 51.32 111.129 172.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.67 10.32 11.54 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 124.246 1.018 . . . . 63.23 113.129 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -69.63 102.15 1.8 Allowed 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.253 0.549 . . . . 70.34 109.788 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -91.96 -25.64 18.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.187 0.995 . . . . 73.44 109.571 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.78 158.12 9.63 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 114.996 -1.002 . . . . 73.34 110.604 -176.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.97 148.56 31.14 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.652 -0.499 . . . . 75.53 109.652 176.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.561 ' HD3' ' H ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -68.96 136.1 52.0 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.666 -0.697 . . . . 73.44 109.176 174.374 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -107.9 118.6 37.18 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.367 0.667 . . . . 60.35 110.134 -172.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -83.78 134.1 34.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 107.999 -1.112 . . . . 71.1 107.999 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -74.04 155.04 38.96 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.513 0.325 . . . . 74.24 110.204 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.506 HD12 HG21 ' A' ' 19' ' ' ILE . 23.6 mm -75.45 132.66 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.467 0.707 . . . . 74.51 110.993 -169.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -136.64 110.46 8.16 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 122.97 0.508 . . . . 74.4 111.562 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.75 -5.21 56.82 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.275 1.03 . . . . 64.41 111.996 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 m -75.97 -28.8 58.03 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.027 0.441 . . . . 71.22 110.287 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.53 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 18.0 m-85 -75.77 12.05 1.18 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.041 0.936 . . . . 71.21 113.041 173.015 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -85.76 98.62 10.83 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 108.724 -0.843 . . . . 73.42 108.724 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.5 m -100.55 137.19 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 107.83 -1.174 . . . . 71.21 107.83 169.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.82 113.58 20.55 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 107.209 -1.404 . . . . 54.34 107.209 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.41 136.08 42.88 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.384 -0.599 . . . . 71.21 109.384 -173.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -73.3 110.32 7.5 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 107.966 -1.124 . . . . 73.11 107.966 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -79.5 119.34 22.36 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 115.074 -0.966 . . . . 61.42 110.284 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -113.47 144.05 30.56 Favored Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 107.196 -1.409 . . . . 72.24 107.196 164.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -94.54 167.06 1.81 Allowed 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 122.752 2.301 . . . . 52.43 112.076 169.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.5 125.57 28.23 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 110.067 -0.346 . . . . 72.24 110.067 167.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -57.3 -38.16 73.57 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.73 0.812 . . . . 75.43 111.348 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -150.51 96.92 3.35 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 107.165 -1.42 . . . . 54.33 107.165 172.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -47.75 130.28 18.71 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 123.603 2.869 . . . . 73.5 113.451 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.65 157.1 45.02 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.645 0.778 . . . . 75.21 111.18 -174.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.71 126.46 32.91 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.13 0.972 . . . . 75.04 110.937 -175.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 21.3 m -113.16 155.21 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.961 0.905 . . . . 74.5 108.858 172.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -101.78 111.32 23.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.276 0.63 . . . . 72.01 109.872 -176.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.89 115.99 31.7 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 107.629 -1.249 . . . . 73.12 107.629 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.91 140.71 57.66 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.014 -0.735 . . . . 60.41 109.014 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.1 p -115.29 161.58 18.29 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.48 0.582 . . . . 71.42 110.978 -168.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.1 p -74.09 -25.15 59.65 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.209 -0.905 . . . . 74.11 110.0 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -71.54 -31.77 67.4 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.728 1.211 . . . . 72.32 111.994 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.64 -120.9 1.34 Allowed Glycine 0 C--N 1.347 1.149 0 CA-C-O 118.812 -0.993 . . . . 54.21 111.476 -174.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 34.3 Cg_endo -59.67 145.22 98.71 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 123.341 2.694 . . . . 64.02 112.252 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 51.2 Cg_exo -55.86 151.87 38.63 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 123.186 2.591 . . . . 74.13 114.815 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.74 127.09 48.67 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.821 -1.081 . . . . 75.01 108.725 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 8.6 pt-20 -73.85 125.83 29.04 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.598 0.561 . . . . 75.24 110.184 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -128.21 133.23 48.83 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 107.406 -1.331 . . . . 72.05 107.406 169.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.5 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 51.6 m -78.84 148.51 32.81 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 108.628 -0.878 . . . . 54.05 108.628 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -85.06 113.99 21.88 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.697 -0.853 . . . . 72.21 108.697 172.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -86.84 -47.35 9.12 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.543 0.687 . . . . 73.41 110.346 176.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . . . -151.82 168.86 23.75 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 114.776 -1.102 . . . . 71.31 110.217 -171.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.6 t -131.73 113.93 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 124.766 1.226 . . . . 70.52 107.914 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.38 122.76 38.43 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.168 0.587 . . . . 73.31 109.936 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.44 134.69 11.32 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 110.126 -1.189 . . . . 72.2 110.126 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -152.85 -175.72 5.44 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.116 0.958 . . . . 70.34 110.473 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.68 154.97 46.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.898 0.879 . . . . 74.13 109.531 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.73 125.85 3.77 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 106.118 -1.808 . . . . 63.21 106.118 -175.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.73 -125.21 27.91 Favored Glycine 0 C--N 1.353 1.484 0 N-CA-C 110.791 -0.924 . . . . 70.02 110.791 -169.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -109.24 21.12 17.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.3 0.64 . . . . 64.24 110.402 169.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.2 m -117.42 124.11 48.06 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.865 0.466 . . . . 64.53 111.111 -173.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -92.36 117.04 29.51 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.617 -1.253 . . . . 75.11 107.617 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -135.42 149.97 49.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.622 0.725 . . . . 72.53 110.922 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.5 m -129.61 125.14 35.44 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 114.159 -1.382 . . . . 71.23 110.064 -167.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.0 mt -108.72 138.12 45.56 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.538 -0.912 . . . . 63.22 108.538 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.0 m -88.6 130.21 35.32 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.897 -0.409 . . . . 71.43 109.897 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -96.41 119.41 34.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.604 0.762 . . . . 33.23 109.576 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -95.28 149.88 20.85 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.119 0.568 . . . . 70.15 111.244 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 60.2 ttt180 -92.18 111.83 23.54 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 107.78 -1.193 . . . . 74.25 107.78 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.61 145.01 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.579 0.752 . . . . 63.14 111.068 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -81.94 136.34 35.31 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.513 -1.221 . . . . 74.2 109.417 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.12 -39.85 2.64 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 123.031 0.348 . . . . 51.11 113.194 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -91.6 121.71 33.51 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.006 0.922 . . . . 52.12 110.578 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.1 t -77.44 -11.84 59.89 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.924 1.289 . . . . 62.44 113.021 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.2 m -91.11 150.57 21.34 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.279 0.632 . . . . 73.13 109.888 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.436 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 66.3 mt -80.99 136.51 36.02 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.023 0.929 . . . . 74.25 109.29 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -96.11 98.22 10.17 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 107.853 -1.166 . . . . 73.33 107.853 -176.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.2 t -106.86 96.22 14.18 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 123.564 0.745 . . . . 63.31 108.995 -175.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.599 ' HB2' ' HB3' ' A' ' 170' ' ' PRO . 85.5 Cg_endo -82.27 146.75 14.17 Favored 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 122.225 1.95 . . . . 74.54 111.139 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -161.46 162.28 30.43 Favored 'General case' 0 C--O 1.252 1.188 0 CA-C-O 121.521 0.677 . . . . 72.05 111.107 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 p -133.46 154.8 50.5 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.771 -1.559 . . . . 71.34 108.213 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.489 ' HB3' ' O ' ' A' ' 178' ' ' ALA . 1.8 m-20 -129.97 -169.98 2.23 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.867 0.867 . . . . 41.44 109.438 -174.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.04 -22.11 58.62 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 122.253 0.221 . . . . 72.44 111.502 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -36.95 76.38 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.418 0.687 . . . . 73.43 110.035 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -34.27 72.36 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.101 1.36 . . . . 65.52 112.894 -173.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.17 -34.32 56.39 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.648 1.179 . . . . 64.44 113.127 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.12 -18.37 65.25 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.438 0.695 . . . . 71.11 111.944 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 87.15 -26.3 7.02 Favored Glycine 0 C--N 1.353 1.497 0 N-CA-C 115.523 0.969 . . . . 73.23 115.523 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -65.45 -36.25 83.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.344 0.658 . . . . 64.44 112.492 -170.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.413 ' HB ' ' HD1' ' A' ' 128' ' ' TYR . 40.2 p -120.44 143.71 48.35 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.374 0.67 . . . . 52.23 111.031 -172.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.44 ' OH ' ' HB2' ' A' ' 119' ' ' ASP 0.266 10.3 p90 34.93 55.84 0.74 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 127.483 2.313 . . . . 72.5 113.991 174.543 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -43.41 -47.26 6.91 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.51 -2.132 . . . . 71.41 112.159 173.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -103.45 13.83 32.7 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.741 0.816 . . . . 74.21 111.727 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.15 171.1 26.1 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 111.257 -0.737 . . . . 64.5 111.257 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -135.61 146.12 47.58 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.75 -0.833 . . . . 73.21 108.75 175.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -92.8 172.34 8.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.112 0.565 . . . . 72.55 110.169 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.422 HD22 HG22 ' A' ' 136' ' ' VAL . 1.5 tt -144.19 121.2 11.39 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 105.554 -2.017 . . . . 74.52 105.554 168.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -90.13 98.24 11.65 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 107.551 -1.277 . . . . 75.43 107.551 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.422 HG22 HD22 ' A' ' 134' ' ' LEU . 60.9 t -99.5 128.86 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 115.345 -0.843 . . . . 74.31 109.768 -171.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -87.45 116.13 65.11 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 107.212 -1.403 . . . . 64.4 107.212 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.68 -21.81 58.35 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.383 2.055 . . . . 62.23 112.702 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.42 29.35 16.82 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.313 1.045 . . . . 65.22 113.122 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 53.32 47.32 62.28 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-N 116.112 -0.495 . . . . 60.43 114.066 -168.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -81.87 162.1 22.91 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.844 0.458 . . . . 72.22 110.229 173.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -126.41 173.76 9.12 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.888 0.875 . . . . 62.4 108.647 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.86 118.65 13.76 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-O 119.935 -0.37 . . . . 51.05 112.379 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 107.7 -14.28 38.43 Favored Glycine 0 C--N 1.336 0.55 0 CA-C-O 119.573 -0.57 . . . . 61.31 112.696 -177.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.88 -174.67 3.17 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 117.03 0.415 . . . . 72.01 110.114 175.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -140.49 157.72 45.07 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.926 0.49 . . . . 72.33 110.727 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 25.4 m -130.72 152.03 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.555 1.142 . . . . 55.31 109.013 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.03 106.03 11.75 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 109.648 -0.501 . . . . 73.4 109.648 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.73 86.51 4.41 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.305 -0.628 . . . . 72.41 109.305 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.85 106.41 7.41 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 107.533 -1.284 . . . . 72.25 107.533 164.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 30.1 m-85 -65.16 -18.89 65.68 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.488 0.315 . . . . 75.42 111.456 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -57.52 -33.96 68.61 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.886 0.874 . . . . 73.43 110.668 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.544 HD11 HG12 ' A' ' 19' ' ' ILE . 4.2 mm? -85.82 18.34 2.98 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.298 1.039 . . . . 74.23 111.986 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.5 130.05 44.59 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 120.833 0.349 . . . . 72.44 110.391 167.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -97.96 146.34 25.58 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.373 1.069 . . . . 73.12 108.603 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -102.64 136.18 19.37 Favored Pre-proline 0 N--CA 1.471 0.596 0 CA-C-O 119.036 -0.507 . . . . 65.55 110.016 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.2 141.87 96.9 Favored 'Trans proline' 0 C--N 1.379 2.167 0 C-N-CA 122.267 1.978 . . . . 74.52 109.745 172.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -63.37 -11.07 19.76 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 113.35 0.87 . . . . 64.52 113.35 -169.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 163' ' ' GLY . 11.4 p -66.89 -12.35 59.02 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.536 0.734 . . . . 71.22 112.685 174.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -86.38 -0.54 56.17 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.903 0.881 . . . . 73.21 112.09 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -110.33 -11.36 14.54 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.705 0.802 . . . . 73.41 110.891 -171.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 124.89 -22.7 6.36 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-N 116.246 -0.434 . . . . 65.5 112.027 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -80.18 151.76 33.63 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 123.625 0.25 . . . . 62.13 112.553 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 28.8 m -115.02 96.01 5.49 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.877 -0.786 . . . . 74.13 108.877 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.59 -173.67 2.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.16 0.584 . . . . 73.53 110.046 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 40.4 t -73.54 107.24 5.7 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.824 0.85 . . . . 51.33 110.465 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 33.5 m -100.71 114.45 28.21 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.122 -1.066 . . . . 71.33 108.122 177.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.37 102.11 5.01 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.45 0.7 . . . . 54.3 109.698 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 70.8 mt -65.05 116.69 32.25 Favored Pre-proline 0 CA--C 1.545 0.757 0 O-C-N 124.132 0.895 . . . . 74.24 110.024 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.599 ' HB3' ' HB2' ' A' ' 116' ' ' PRO . 62.3 Cg_endo -70.85 148.14 57.35 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.337 2.025 . . . . 74.31 112.069 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -64.92 163.22 29.09 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 122.255 1.97 . . . . 74.54 111.916 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -65.83 -16.32 63.71 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.055 0.542 . . . . 70.3 111.799 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.3 -19.42 64.58 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.977 1.311 . . . . 74.25 112.99 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -108.7 37.16 2.6 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.469 0.652 . . . . 64.42 111.822 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -102.51 114.41 28.59 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.401 -0.592 . . . . 70.2 109.401 173.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 33.1 m -91.94 138.58 24.68 Favored Pre-proline 0 CA--C 1.557 1.241 0 N-CA-C 109.999 -0.371 . . . . 74.33 109.999 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -86.55 50.39 2.32 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 123.883 3.055 . . . . 74.11 112.348 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 119' ' ' ASP . . . -145.55 146.76 31.54 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.272 -1.01 . . . . 75.3 108.272 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.42 122.87 34.4 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.128 -0.693 . . . . 43.11 109.128 173.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.04 108.22 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.018 -1.104 . . . . 71.24 108.018 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 43.4 p -85.01 81.28 8.96 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.715 0.769 . . . . 61.45 110.774 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.959 0 C-N-CA 124.665 1.186 . . . . 64.04 109.801 -177.057 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.5 tt . . . . . 0 CA--C 1.563 1.479 0 N-CA-C 107.31 -1.367 . . . . 75.32 107.31 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.71 127.44 15.45 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 121.55 1.5 . . . . 65.45 111.095 -166.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mt -171.66 -54.51 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.059 0.944 . . . . 74.3 110.053 -169.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -78.87 18.57 0.99 Allowed 'Trans proline' 0 C--N 1.397 3.118 0 C-N-CA 122.173 1.915 . . . . 71.12 112.662 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m -68.12 -26.08 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.663 1.185 . . . . 64.42 110.044 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.411 ' OG1' ' HD2' ' A' ' 59' ' ' ARG . 9.1 t -85.14 86.64 7.36 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 107.428 -1.323 . . . . 64.15 107.428 162.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.5 t0 -28.59 148.97 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 126.914 2.085 . . . . 72.13 115.485 -178.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -47.67 137.05 9.73 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.106 0.962 . . . . 53.03 110.478 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -39.54 -49.32 2.13 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 115.438 1.644 . . . . 73.53 115.438 -162.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.25 -43.55 90.99 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 121.281 0.562 . . . . 75.21 110.602 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.58 -27.95 62.5 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.366 -0.834 . . . . 72.51 111.437 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.562 ' O ' HG13 ' A' ' 19' ' ' ILE . 37.9 t90 -70.76 -37.09 73.37 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.326 -0.62 . . . . 64.24 109.326 173.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -71.34 -27.15 63.17 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.017 0.527 . . . . 75.01 110.35 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.38 84.64 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.91 0.484 . . . . 74.33 111.248 165.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -66.85 -28.4 68.32 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.148 0.579 . . . . 74.12 111.082 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 153' ' ' LEU . 49.3 mt -72.4 -47.69 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.587 0.755 . . . . 71.13 109.906 176.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.41 76.19 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 124.558 1.162 . . . . 74.31 110.085 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.41 80.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.425 0.69 . . . . 61.53 111.221 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -53.27 53.33 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.822 0.849 . . . . 63.2 110.813 179.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -67.55 -38.62 84.42 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.593 0.357 . . . . 73.21 111.157 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.85 89.81 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.664 0.603 . . . . 63.13 110.887 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.7 -56.34 23.08 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.157 0.91 . . . . 54.41 110.63 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -57.21 -40.58 77.76 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.898 0.749 . . . . 75.22 111.374 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.71 -55.14 25.58 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.98 0.912 . . . . 63.4 111.381 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.21 -24.35 61.38 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.972 -0.558 . . . . 75.21 110.963 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.655 ' HE1' ' HB2' ' A' ' 36' ' ' SER . 35.7 t80 -52.83 -65.09 0.62 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.353 1.061 . . . . 73.51 111.87 -173.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.688 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.07 -18.3 65.25 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 111.746 0.276 . . . . 42.35 111.746 -175.337 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.1 -36.57 18.04 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.256 0.622 . . . . 64.51 111.581 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 p -117.54 -59.38 1.94 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.983 0.513 . . . . 73.21 111.529 -173.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -61.29 106.55 0.64 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.839 0.856 . . . . 70.34 109.913 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.32 -11.6 60.31 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.458 1.103 . . . . 63.41 113.133 -164.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -62.08 -13.73 29.38 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 113.958 1.095 . . . . 54.25 113.958 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.655 ' HB2' ' HE1' ' A' ' 29' ' ' PHE . 66.1 m -159.74 81.41 2.45 Favored Pre-proline 0 N--CA 1.475 0.821 0 N-CA-C 107.085 -1.45 . . . . 74.45 107.085 172.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -77.2 148.16 26.91 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.503 2.136 . . . . 74.33 111.954 -176.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.7 tt -73.71 133.99 79.16 Favored Pre-proline 0 CA--C 1.553 1.082 0 N-CA-C 108.205 -1.035 . . . . 52.14 108.205 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -48.42 139.31 22.83 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 123.472 2.782 . . . . 71.43 112.327 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -51.4 -32.61 43.1 Favored 'Trans proline' 0 C--N 1.382 2.305 0 C-N-CA 124.05 3.167 . . . . 65.05 114.332 -170.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.57 -44.42 78.25 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.287 0.565 . . . . 62.22 111.034 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -81.95 -18.73 42.51 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.454 0.702 . . . . 72.13 110.539 -175.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -57.9 -46.9 84.22 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.683 0.793 . . . . 64.55 110.676 170.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.93 -41.97 70.54 Favored Glycine 0 C--N 1.344 1.019 0 N-CA-C 111.461 -0.656 . . . . 72.4 111.461 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.76 2.43 14.39 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.656 0.782 . . . . 61.31 112.817 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.8 99.65 0.49 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 121.36 0.6 . . . . 72.24 110.102 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -92.26 -29.19 16.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.49 1.116 . . . . 74.32 109.3 172.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.46 63.48 0.38 Allowed Glycine 0 C--N 1.343 0.948 0 N-CA-C 110.059 -1.217 . . . . 53.03 110.059 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 81.88 0.18 Allowed 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 122.408 1.099 . . . . 73.14 111.02 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -175.24 152.56 1.43 Allowed 'General case' 0 C--O 1.245 0.843 0 CA-C-N 113.761 -1.563 . . . . 75.44 109.453 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.1 t80 168.2 112.14 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.739 1.616 . . . . 70.45 108.41 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -126.3 129.57 49.13 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.917 -0.772 . . . . 73.51 108.917 160.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -71.31 169.7 14.67 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.384 -0.599 . . . . 75.14 109.384 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' A' ' 19' ' ' ILE . 10.6 mm -84.11 123.4 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-O 119.23 -0.414 . . . . 70.23 109.928 -174.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -134.63 118.85 17.64 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 109.552 -0.536 . . . . 71.35 109.552 173.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 59' ' ' ARG . . . -80.16 -15.92 56.0 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.938 0.895 . . . . 43.23 113.256 -176.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.0 t -81.98 -19.39 40.65 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 122.335 -0.228 . . . . 75.32 111.246 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -85.26 7.83 20.72 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.945 0.721 . . . . 72.24 112.945 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.498 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 37.2 ptt180 -104.09 99.59 9.33 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.68 -0.859 . . . . 74.53 108.68 169.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.4 m -100.31 155.09 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 122.048 -0.407 . . . . 55.01 110.12 -175.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.76 118.56 31.58 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.145 -1.058 . . . . 70.33 108.145 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.571 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . . . -105.69 135.1 47.72 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.09 0.556 . . . . 52.45 110.268 -175.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 145' ' ' ASP . 50.7 ttp180 -73.33 120.03 18.39 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.828 -0.805 . . . . 73.44 108.828 -176.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -88.46 121.73 31.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.974 0.909 . . . . 72.44 109.924 -172.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -118.58 105.89 45.24 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.789 0.835 . . . . 63.5 108.984 172.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -64.59 148.4 90.43 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 122.144 1.896 . . . . 72.43 110.871 176.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.23 110.12 2.1 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.036 -0.727 . . . . 74.44 109.036 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -52.6 -32.03 39.38 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.533 1.133 . . . . 64.24 112.012 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -149.48 97.32 3.54 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 106.979 -1.489 . . . . 63.42 106.979 166.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.74 128.49 24.63 Favored 'Trans proline' 0 C--N 1.373 1.817 0 C-N-CA 122.669 2.246 . . . . 70.32 111.934 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -130.26 156.94 43.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.369 1.068 . . . . 63.13 109.356 -177.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.46 141.36 28.6 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.12 0.568 . . . . 72.31 110.772 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 33.4 m -136.15 158.97 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.747 1.219 . . . . 63.34 109.327 -174.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -106.15 112.47 25.52 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.077 -0.712 . . . . 73.34 109.077 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -95.48 123.77 39.18 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 107.355 -1.35 . . . . 54.05 107.355 172.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.27 151.71 39.8 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.518 -0.549 . . . . 75.35 109.518 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.4 p -123.5 168.2 12.9 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 118.583 0.629 . . . . 74.11 110.971 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.3 p -86.94 -33.56 19.63 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.887 -1.051 . . . . 73.34 110.524 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -75.69 -31.79 59.85 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.654 0.782 . . . . 71.43 111.805 -173.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.44 -122.83 1.09 Allowed Glycine 0 CA--C 1.532 1.148 0 CA-C-O 118.659 -1.078 . . . . 70.42 112.683 -174.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -62.74 152.6 77.45 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 123.533 2.822 . . . . 71.32 112.795 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -67.14 145.7 73.91 Favored 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 122.712 2.275 . . . . 74.1 113.071 -176.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.25 117.31 29.53 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.25 1.02 . . . . 51.41 109.633 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 44.6 mt-10 -81.02 120.16 24.43 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.173 0.589 . . . . 73.41 110.858 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.545 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 41.1 m-85 -122.5 146.68 47.17 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.076 0.95 . . . . 75.2 108.869 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.1 m -89.19 137.53 32.23 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 108.903 -0.777 . . . . 61.04 108.903 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -73.01 112.03 8.66 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.856 -0.794 . . . . 75.44 108.856 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.58 -52.82 6.8 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.409 0.684 . . . . 75.45 110.639 177.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.48 177.12 11.72 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.33 -0.85 . . . . 73.12 110.743 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.3 t -135.43 118.8 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 N-CA-C 107.536 -1.283 . . . . 74.43 107.536 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.43 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.0 mm? -95.7 119.92 35.06 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.25 0.62 . . . . 52.3 111.158 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.14 125.86 7.06 Favored Glycine 0 C--N 1.342 0.915 0 N-CA-C 110.632 -0.987 . . . . 72.15 110.632 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.571 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 37.1 p90 -161.23 154.78 21.79 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 117.706 0.753 . . . . 52.33 110.847 -171.039 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -81.16 152.84 27.55 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.939 -0.393 . . . . 75.11 109.939 173.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.519 HD23 HG11 ' A' ' 176' ' ' VAL . 28.6 tp -169.68 134.39 1.38 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 108.48 -0.933 . . . . 75.14 108.48 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.63 -101.49 1.79 Allowed Glycine 0 C--N 1.35 1.338 0 N-CA-C 110.285 -1.126 . . . . 74.14 110.285 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -129.15 -2.85 5.07 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.357 0.663 . . . . 74.35 110.187 169.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.2 m -129.35 167.59 17.53 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.433 0.635 . . . . 63.15 112.676 -166.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -86.35 139.66 30.77 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.164 -1.05 . . . . 73.41 108.164 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -141.06 140.71 34.28 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.128 0.971 . . . . 73.15 109.375 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 31.6 m -135.62 119.28 17.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.448 0.299 . . . . 74.31 110.708 -175.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -103.89 142.85 33.69 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.524 1.13 . . . . 75.11 109.381 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.9 m -88.14 123.31 32.67 Favored 'General case' 0 C--O 1.243 0.717 0 N-CA-C 109.043 -0.725 . . . . 61.25 109.043 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.663 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -97.3 122.86 40.81 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.303 0.641 . . . . 74.22 109.45 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.545 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 51.0 m-85 -101.59 170.54 8.12 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.696 0.622 . . . . 52.44 110.338 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.664 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 36.7 ttt180 -126.03 131.16 52.24 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.576 -0.898 . . . . 62.43 108.576 -173.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 110' ' ' GLU . 1.8 m -111.8 115.25 49.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 107.748 -1.204 . . . . 64.31 107.748 173.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.24 136.54 56.74 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.033 -0.985 . . . . 74.45 111.213 -170.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 100.36 -34.38 5.59 Favored Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.221 -0.9 . . . . 70.44 111.726 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.446 ' HB2' HG23 ' A' ' 107' ' ' VAL . 10.3 mm-40 -87.79 136.49 32.93 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 123.348 0.659 . . . . 73.32 110.011 176.303 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.4 m -79.62 -18.1 52.31 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.819 -0.628 . . . . 71.21 110.678 170.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 m -90.57 135.13 33.9 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 123.339 0.655 . . . . 62.3 110.216 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.4 mt -81.68 149.63 28.42 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.808 0.843 . . . . 65.43 110.039 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.3 111.21 22.1 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.592 -0.892 . . . . 55.54 108.592 -177.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 104' ' ' ALA . 20.0 m -107.68 116.56 57.33 Favored Pre-proline 0 N--CA 1.48 1.059 0 N-CA-C 108.877 -0.786 . . . . 64.51 108.877 175.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -84.22 148.33 11.7 Favored 'Trans proline' 0 C--N 1.368 1.585 0 C-N-CA 122.306 2.004 . . . . 72.31 109.66 163.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -164.7 163.44 21.54 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.142 0.496 . . . . 74.43 110.676 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.4 p -130.57 154.19 48.1 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.966 -1.015 . . . . 73.45 108.877 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -114.0 -172.25 2.05 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 108.08 -1.082 . . . . 65.24 108.08 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -73.33 -28.36 62.03 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.856 -0.794 . . . . 72.43 108.856 160.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.454 HG22 ' HB3' ' A' ' 126' ' ' ARG . 2.2 m -65.9 -38.32 88.4 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.441 1.496 . . . . 72.21 111.332 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 46.9 p -69.51 -45.32 69.16 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.202 0.601 . . . . 54.41 110.972 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.99 -19.42 62.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.7 0.8 . . . . 70.35 111.524 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -76.15 -18.65 59.02 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.851 0.86 . . . . 70.02 110.427 171.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.59 -0.03 86.54 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 115.812 -0.631 . . . . 22.15 113.608 -175.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.454 ' HB3' HG22 ' A' ' 121' ' ' THR . 14.3 tpp180 -72.34 -39.67 67.98 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.792 0.837 . . . . 72.24 109.849 -176.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.8 p -118.44 -177.57 3.32 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.007 -0.997 . . . . 71.14 109.712 171.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -62.61 99.74 0.16 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.402 1.081 . . . . 64.44 111.729 -166.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.74 -52.07 66.42 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.293 1.037 . . . . 72.52 112.365 -173.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -77.42 6.97 5.97 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 116.078 -0.51 . . . . 74.35 112.195 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 134.07 143.36 4.88 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 112.067 -0.413 . . . . 41.42 112.067 167.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 -126.59 140.94 52.05 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.402 -1.333 . . . . 73.14 107.402 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.28 172.51 6.75 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.082 0.467 . . . . 63.55 111.601 -175.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.7 tt -153.17 138.47 17.51 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 106.764 -1.569 . . . . 71.31 106.764 170.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.5 110.95 23.37 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.457 -0.942 . . . . 73.35 108.457 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.7 122.82 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-N 115.154 -0.93 . . . . 62.31 108.872 -171.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -87.6 122.35 70.54 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 108.525 -0.917 . . . . 65.02 108.525 178.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.82 -28.28 86.86 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 122.625 2.217 . . . . 64.52 113.095 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 53.16 30.41 9.74 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 114.444 1.275 . . . . 73.2 114.444 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 58.98 27.8 62.76 Favored Glycine 0 N--CA 1.477 1.412 0 N-CA-C 114.117 0.407 . . . . 42.42 114.117 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.12 161.53 28.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.597 0.759 . . . . 65.22 110.928 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -140.13 179.68 6.49 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.758 -0.656 . . . . 63.1 109.357 -174.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -58.42 104.71 0.52 Allowed Glycine 0 C--N 1.353 1.514 0 C-N-CA 123.602 0.62 . . . . 71.04 113.352 -174.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.2 0.85 33.45 Favored Glycine 0 N--CA 1.467 0.751 0 CA-C-O 119.344 -0.698 . . . . 73.0 114.009 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 63' ' ' ARG . 21.7 m-20 -82.86 -169.16 2.36 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 117.665 0.733 . . . . 64.11 109.597 174.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -138.97 155.35 48.08 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 120.91 0.386 . . . . 74.31 111.577 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 21.9 m -137.17 177.09 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 124.463 1.105 . . . . 73.42 109.653 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.59 130.3 34.61 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.076 0.55 . . . . 71.44 111.684 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.0 mt -126.22 86.25 2.5 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.414 1.086 . . . . 74.31 108.422 166.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.498 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 25.4 p-10 -91.73 97.76 11.21 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.114 -0.948 . . . . 74.34 109.674 176.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -73.03 -26.31 61.26 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.098 -0.956 . . . . 64.32 111.634 -172.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.409 ' HB3' ' HB1' ' A' ' 182' ' ' ALA . 10.2 p-10 -68.48 -17.6 64.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.001 0.521 . . . . 61.34 111.327 174.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 19' ' ' ILE . 2.2 mm? -110.56 18.28 19.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.443 0.697 . . . . 65.24 111.722 174.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.1 149.72 27.11 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.525 0.679 . . . . 72.34 111.2 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -97.68 177.03 5.62 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.727 -1.124 . . . . 72.35 108.046 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -152.81 159.0 32.96 Favored Pre-proline 0 N--CA 1.471 0.582 0 O-C-N 121.911 -0.493 . . . . 71.44 110.968 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -80.79 124.46 5.09 Favored 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 121.315 1.343 . . . . 54.43 109.377 163.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -81.62 0.35 38.85 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.349 0.659 . . . . 72.25 111.651 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' CYS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 42.1 t -56.23 -30.44 62.36 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.351 -0.841 . . . . 72.04 110.813 159.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.65 -27.23 66.69 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.866 0.867 . . . . 64.12 111.712 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -81.19 11.17 4.44 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.716 0.807 . . . . 73.14 111.68 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 104.24 6.72 41.68 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-O 119.395 -0.669 . . . . 72.22 114.423 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -81.0 159.25 41.46 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 117.612 0.706 . . . . 65.01 112.206 174.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 32.1 p -105.66 69.89 0.85 Allowed 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.276 0.56 . . . . 74.42 110.791 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -129.45 158.31 39.54 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.593 0.757 . . . . 75.02 111.289 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 42.9 p -74.7 115.55 14.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.237 -0.892 . . . . 71.21 112.098 -169.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 159' ' ' CYS . 33.8 m -100.63 113.81 26.98 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 107.616 -1.253 . . . . 34.42 107.616 174.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -72.68 100.25 2.77 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.944 -0.762 . . . . 63.41 108.944 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.59 121.31 47.85 Favored Pre-proline 0 CA--C 1.547 0.839 0 O-C-N 124.687 1.242 . . . . 74.1 110.274 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.09 138.31 43.35 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 122.312 2.008 . . . . 65.3 111.747 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.66 179.73 5.68 Favored 'Trans proline' 0 C--N 1.37 1.699 0 C-N-CA 122.566 2.177 . . . . 61.34 112.648 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -56.65 -27.93 59.56 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.236 1.014 . . . . 61.52 113.324 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -71.35 -26.22 62.72 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.776 0.322 . . . . 62.23 111.192 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -98.98 1.01 45.11 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.409 0.683 . . . . 71.32 110.54 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -85.84 116.75 24.28 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 108.824 -0.806 . . . . 62.41 108.824 170.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.519 HG11 HD23 ' A' ' 95' ' ' LEU . 89.4 t -94.69 115.68 65.57 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 124.515 1.126 . . . . 71.32 108.916 173.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -73.57 66.27 4.66 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.785 2.323 . . . . 72.5 111.472 166.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.13 139.56 19.53 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 124.793 1.237 . . . . 35.54 107.883 174.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.15 103.93 12.11 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.139 -0.689 . . . . 61.21 109.139 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.9 mp -93.81 98.23 7.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 106.34 -1.726 . . . . 74.52 106.34 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 36.6 p -84.77 59.77 5.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 122.569 1.176 . . . . 62.25 109.271 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' ' 152' ' ' ASN . . . . . . . . 0 N--CA 1.451 -0.405 0 CA-C-N 113.284 -1.78 . . . . 61.42 106.527 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.511 HG22 ' HG ' ' A' ' 6' ' ' LEU . 13.4 mt . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.901 -0.407 . . . . 72.1 109.901 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -65.76 128.24 19.52 Favored 'Trans proline' 0 C--N 1.371 1.713 0 C-N-CA 122.784 2.323 . . . . 72.44 110.787 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.511 ' HG ' HG22 ' A' ' 4' ' ' ILE . 24.9 mt -159.52 -53.72 0.01 OUTLIER Pre-proline 0 N--CA 1.483 1.192 0 C-N-CA 125.054 1.342 . . . . 52.34 109.935 -166.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.453 ' HD2' ' H ' ' A' ' 6' ' ' LEU . 66.9 Cg_endo -80.08 19.57 1.02 Allowed 'Trans proline' 0 C--N 1.396 3.055 0 C-N-CA 122.221 1.948 . . . . 71.34 112.459 178.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.33 -28.52 39.68 Favored 'Isoleucine or valine' 0 C--N 1.363 1.159 0 C-N-CA 123.981 0.912 . . . . 72.45 109.455 169.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -91.09 98.57 11.84 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 124.892 1.277 . . . . 61.13 109.067 168.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.55 156.87 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.582 1.153 . . . . 75.53 113.781 167.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.0 t -50.59 141.46 12.5 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 114.768 -1.105 . . . . 72.24 110.286 172.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -47.28 -36.63 9.42 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 114.493 1.294 . . . . 73.02 114.493 -165.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.89 -53.9 49.48 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.668 0.787 . . . . 64.04 111.395 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.39 -34.12 72.18 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.252 1.021 . . . . 72.21 111.138 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.418 ' O ' HG13 ' A' ' 19' ' ' ILE . 60.2 t90 -65.99 -45.25 82.31 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.78 1.232 . . . . 64.11 109.455 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HA ' HD12 ' A' ' 19' ' ' ILE . 23.5 ttm180 -63.76 -39.83 95.23 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.404 1.081 . . . . 71.33 110.565 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.69 88.47 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.511 0.724 . . . . 71.03 111.431 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -63.18 -45.57 91.2 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 122.796 0.439 . . . . 74.33 110.22 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 16' ' ' ARG . 82.9 mt -57.03 -47.26 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 O-C-N 123.88 0.737 . . . . 64.44 110.594 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.45 -44.26 84.6 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 124.575 1.172 . . . . 75.11 110.555 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.6 76.13 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.55 -0.75 . . . . 71.21 111.499 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -67.19 -46.61 73.42 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.03 0.932 . . . . 64.11 111.039 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 28.3 ptt180 -74.14 -32.26 63.07 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.029 -0.532 . . . . 74.15 110.698 -177.055 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.85 -40.88 79.11 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.932 0.493 . . . . 55.54 110.804 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.6 -55.85 29.78 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.912 -1.04 . . . . 71.45 110.372 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.617 ' HE2' ' HB3' ' A' ' 155' ' ' TYR . 47.6 mttp -68.34 -23.7 64.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.728 -0.669 . . . . 62.25 111.742 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.484 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -63.52 -54.76 31.24 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.405 0.621 . . . . 73.2 109.484 173.497 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -83.35 -13.25 55.43 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.22 -0.9 . . . . 64.44 111.412 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -55.34 -60.05 3.95 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.727 0.811 . . . . 74.12 111.668 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.711 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -75.0 -24.81 58.48 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.612 -0.267 . . . . 71.54 110.982 -178.496 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.74 -44.77 55.31 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.752 0.421 . . . . 64.04 111.562 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.4 p -119.06 -56.87 2.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.334 0.653 . . . . 42.33 111.455 -170.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -56.29 133.59 52.77 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.253 0.621 . . . . 64.31 112.462 -175.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.25 -15.61 61.92 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.595 1.158 . . . . 52.24 113.118 -168.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -61.54 -37.05 82.36 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.05 0.54 . . . . 72.42 112.278 -172.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -155.65 78.35 4.52 Favored Pre-proline 0 N--CA 1.48 1.064 0 C-N-CA 123.667 0.787 . . . . 63.53 109.057 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.63 128.21 14.92 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 122.376 2.051 . . . . 75.34 111.618 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.711 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 18.5 tt -69.82 136.01 87.72 Favored Pre-proline 0 CA--C 1.552 1.044 0 N-CA-C 108.384 -0.969 . . . . 60.14 108.384 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -35.62 134.44 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 124.405 3.403 . . . . 54.53 115.174 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -54.69 -25.1 40.4 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 124.14 3.227 . . . . 74.31 114.546 -171.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.38 76.91 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.05 0.54 . . . . 53.44 110.839 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -76.32 -37.44 57.38 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.726 0.81 . . . . 74.21 110.147 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HB2' HG23 ' A' ' 38' ' ' ILE . 37.6 ttp180 -67.33 -35.14 78.79 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.981 0.912 . . . . 63.32 111.395 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.95 -44.13 47.27 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.727 -0.549 . . . . 61.2 111.727 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.82 21.2 3.15 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.973 0.909 . . . . 74.31 112.435 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.98 108.63 2.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.823 0.849 . . . . 62.05 111.687 -175.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -94.84 -38.51 10.71 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.991 0.916 . . . . 70.53 109.799 170.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.92 168.97 11.85 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.103 -0.953 . . . . 73.23 111.602 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 27' ' ' ASP . 1.2 pt? -135.99 80.5 1.83 Allowed 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 122.202 1.001 . . . . 61.1 109.406 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.51 123.8 2.22 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.933 -1.031 . . . . 73.41 109.27 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -131.24 -158.08 0.87 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.25 1.02 . . . . 61.22 108.545 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -55.53 111.98 1.02 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 109.123 -0.695 . . . . 72.15 109.123 176.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 152' ' ' ASN . 21.8 p-10 -122.56 -51.78 1.94 Allowed 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.056 -1.028 . . . . 73.31 110.564 -171.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.43 HG12 HD13 ' A' ' 19' ' ' ILE . 3.9 mt -80.76 105.81 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 121.467 0.651 . . . . 53.43 110.776 -175.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -136.28 114.19 11.27 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.202 -1.363 . . . . 70.22 109.544 166.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.95 -10.55 58.98 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.448 0.907 . . . . 54.25 113.448 -171.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 m -75.03 -27.92 60.26 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 110.017 -0.364 . . . . 63.13 110.017 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.498 ' HB2' ' HB3' ' A' ' 152' ' ' ASN . 67.0 m-85 -90.61 13.17 16.68 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 113.091 0.774 . . . . 75.34 113.091 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -112.43 115.86 29.36 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.521 -0.918 . . . . 74.13 108.521 173.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.9 m -115.49 171.07 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.372 0.669 . . . . 62.12 110.369 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.27 125.66 53.35 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.093 -1.077 . . . . 71.13 108.093 170.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -110.5 146.32 36.18 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.731 0.813 . . . . 72.35 110.248 -175.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -80.11 120.42 24.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.199 -0.667 . . . . 72.44 109.199 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -82.11 122.26 27.63 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.899 0.88 . . . . 74.3 109.811 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -124.07 100.44 36.46 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 124.288 1.035 . . . . 75.3 108.46 173.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -69.66 148.0 64.73 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.172 1.915 . . . . 54.25 111.278 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.9 99.82 3.92 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.901 -1.148 . . . . 63.53 107.901 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -60.61 -23.35 64.65 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.108 0.963 . . . . 71.42 109.627 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -123.65 90.85 50.27 Favored Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 108.533 -0.914 . . . . 75.41 108.533 167.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.45 131.86 19.63 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 122.058 1.838 . . . . 53.3 111.443 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -133.61 147.2 51.47 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.03 0.532 . . . . 74.44 111.112 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.17 126.52 31.59 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.151 0.98 . . . . 71.04 110.077 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.6 m -122.22 154.37 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.814 1.246 . . . . 75.4 108.963 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 37.5 mt-10 -111.4 112.67 24.58 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.192 0.997 . . . . 74.43 108.933 -178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -99.36 141.02 32.67 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.522 -0.918 . . . . 74.2 108.522 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.81 149.89 48.53 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.079 0.552 . . . . 62.41 110.626 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.0 p -138.7 162.44 34.68 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.558 0.343 . . . . 73.33 110.304 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.2 p -95.62 -34.42 12.0 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.424 0.69 . . . . 74.44 110.912 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.758 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 4.1 tmt_? -75.24 -31.45 60.82 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.767 0.427 . . . . 74.53 111.922 -175.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.93 -138.89 2.7 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 120.338 -0.934 . . . . 71.13 114.379 -175.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -62.93 158.07 45.12 Favored 'Trans proline' 0 C--N 1.381 2.248 0 C-N-CA 123.559 2.839 . . . . 54.2 112.952 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HB2' ' HB3' ' A' ' 74' ' ' GLU . 23.3 Cg_endo -59.08 137.88 82.06 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.381 2.054 . . . . 74.51 111.634 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 124.75 36.5 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 123.886 0.874 . . . . 74.2 109.695 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 40.2 mt-10 -84.53 123.84 30.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.929 0.891 . . . . 53.44 110.246 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -139.5 147.61 41.52 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.272 1.029 . . . . 73.41 108.43 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.7 m -99.03 140.42 33.2 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.63 -0.508 . . . . 51.53 109.63 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.9 mtm105 -75.18 108.73 8.13 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.467 -0.938 . . . . 73.32 108.467 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.462 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -88.88 -41.27 12.55 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.527 0.731 . . . . 75.24 110.345 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . . . -157.59 174.78 14.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.61 -0.723 . . . . 71.34 110.809 -176.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.4 t -138.83 125.09 24.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 C-N-CA 125.485 1.514 . . . . 72.53 107.483 171.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -96.04 123.56 39.69 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.513 1.125 . . . . 54.22 109.948 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -107.73 117.07 5.07 Favored Glycine 0 C--N 1.341 0.806 0 N-CA-C 109.994 -1.242 . . . . 44.0 109.994 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.54 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 38.5 p90 -147.05 149.56 33.33 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.205 0.602 . . . . 70.33 110.517 -171.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 3.4 m-20 -81.93 138.03 35.06 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.211 0.604 . . . . 51.31 109.696 173.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 180' ' ' ILE . 29.2 tp -158.11 124.7 4.82 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 108.708 -0.849 . . . . 74.44 108.708 178.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.9 -102.2 1.2 Allowed Glycine 0 C--N 1.351 1.412 0 N-CA-C 111.064 -0.814 . . . . 63.32 111.064 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -113.56 -14.31 12.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.335 1.054 . . . . 74.43 111.246 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.537 ' HB2' ' HG3' ' A' ' 177' ' ' PRO . 44.2 m -129.55 135.36 48.49 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.358 0.599 . . . . 55.21 112.439 -162.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 9.0 p80 -83.79 111.69 19.42 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 107.54 -1.281 . . . . 72.41 107.54 167.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -125.9 162.43 25.2 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 124.682 1.193 . . . . 62.21 108.323 -167.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.4 p -105.59 160.02 15.5 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.907 0.483 . . . . 65.53 110.698 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 117' ' ' PHE . 14.5 tp -147.04 119.18 8.25 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.96 -0.564 . . . . 62.53 109.561 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.544 ' H ' ' ND2' ' A' ' 174' ' ' ASN . 8.6 m -81.62 123.84 29.03 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 110.026 -0.361 . . . . 73.1 110.026 -172.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . . . -94.39 118.44 31.63 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.199 -1.037 . . . . 65.34 108.199 176.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -92.36 158.81 15.88 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.612 0.72 . . . . 74.33 111.774 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.462 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 31.3 ttt-85 -97.64 120.45 38.04 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.408 -1.269 . . . . 74.44 109.379 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -114.75 114.62 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.233 1.013 . . . . 42.42 109.475 171.266 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.98 142.79 50.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.263 -0.881 . . . . 74.42 110.904 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.78 -37.66 3.34 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 115.643 -0.708 . . . . 62.05 111.682 -169.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.487 ' HB2' HG23 ' A' ' 107' ' ' VAL . 1.3 mp0 -87.73 126.3 34.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.342 1.057 . . . . 71.44 109.655 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.6 t -75.01 -13.57 60.52 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.202 0.601 . . . . 74.33 110.873 171.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.4 m -88.98 144.47 26.15 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.456 0.702 . . . . 51.11 110.028 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.402 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 74.8 mt -82.85 136.38 34.64 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.635 -0.876 . . . . 63.5 108.635 170.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.26 99.98 11.64 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.42 -1.326 . . . . 55.11 107.42 -176.28 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.8 t -111.17 103.62 55.14 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 123.462 0.705 . . . . 63.41 109.875 -169.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.503 ' HB2' ' HG3' ' A' ' 170' ' ' PRO . 60.7 Cg_endo -84.2 144.8 10.7 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.869 2.379 . . . . 70.13 112.344 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.598 ' HB3' HD11 ' A' ' 102' ' ' LEU . 47.8 p90 -149.84 153.9 37.52 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.633 0.73 . . . . 72.51 112.481 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 p -127.16 148.2 50.18 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 113.607 -1.633 . . . . 74.32 108.459 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.459 ' HB3' HD13 ' A' ' 180' ' ' ILE . 1.0 OUTLIER -123.7 -172.74 2.59 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.583 1.153 . . . . 62.23 110.568 -174.061 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.16 -27.06 42.68 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.02 0.528 . . . . 75.4 111.449 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.489 HG21 ' HB ' ' A' ' 181' ' ' THR . 0.0 OUTLIER -71.88 -13.25 61.61 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.197 0.599 . . . . 71.44 111.751 -178.082 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.503 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 62.8 p -60.3 -40.01 88.98 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.572 0.749 . . . . 75.14 111.403 171.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.8 -29.48 70.75 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.434 1.094 . . . . 43.13 111.773 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -76.37 -24.22 54.15 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.601 0.76 . . . . 63.31 110.258 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.55 -5.11 39.13 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-N 115.749 -0.66 . . . . 72.54 114.1 -176.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -77.55 -15.64 59.13 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.17 0.588 . . . . 73.54 111.122 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 128' ' ' TYR . 1.2 m -125.39 -176.8 3.69 Favored 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 107.664 -1.236 . . . . 53.4 107.664 173.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.447 ' H ' HG22 ' A' ' 127' ' ' THR . 14.9 m-85 -74.04 89.56 1.95 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.944 0.898 . . . . 73.13 112.582 -160.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.503 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 12.6 pt-20 -70.73 -22.16 62.46 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.733 0.413 . . . . 53.15 111.499 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -77.15 -18.81 57.58 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.142 0.577 . . . . 74.31 110.262 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 109.58 176.37 21.21 Favored Glycine 0 C--N 1.345 1.042 0 CA-C-N 115.528 -0.76 . . . . 63.4 112.683 173.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 0.6 OUTLIER -124.61 163.07 22.75 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.665 1.186 . . . . 74.14 109.667 177.504 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.462 ' OH ' ' HB3' ' A' ' 168' ' ' ALA . 6.0 m-85 -118.92 166.51 12.75 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.631 -1.168 . . . . 75.42 108.757 164.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.53 134.51 22.59 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 107.853 -1.165 . . . . 70.22 107.853 174.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -96.78 100.79 12.32 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 108.09 -1.078 . . . . 75.32 108.09 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.01 119.9 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 115.624 -0.716 . . . . 30.32 109.083 -174.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -97.49 119.99 61.67 Favored Pre-proline 0 N--CA 1.472 0.647 0 N-CA-C 108.062 -1.088 . . . . 71.41 108.062 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.402 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 49.3 Cg_endo -67.89 -24.93 39.39 Favored 'Trans proline' 0 C--N 1.37 1.658 0 C-N-CA 122.674 2.249 . . . . 74.43 113.008 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.53 -80.53 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.647 1.179 . . . . 71.12 110.439 -167.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -155.55 44.57 0.54 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.65 -0.98 . . . . 62.52 110.65 171.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -79.75 142.2 35.62 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.25 0.62 . . . . 51.53 109.756 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -131.54 -179.89 5.64 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 108.008 -1.108 . . . . 72.22 108.008 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -47.35 99.46 0.02 OUTLIER Glycine 0 C--N 1.355 1.611 0 C-N-CA 124.267 0.937 . . . . 72.13 114.613 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.69 -1.16 27.54 Favored Glycine 0 N--CA 1.47 0.928 0 CA-C-O 119.292 -0.727 . . . . 71.31 114.848 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -81.63 -172.28 3.77 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 118.015 0.907 . . . . 61.21 108.906 173.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.38 155.45 48.51 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.301 0.572 . . . . 54.44 112.378 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 13.4 m -141.19 152.77 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.317 1.447 . . . . 75.45 108.726 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.37 116.5 15.11 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.936 0.495 . . . . 73.53 111.83 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.7 mt -99.76 93.81 6.01 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.646 0.778 . . . . 73.05 109.964 170.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.457 ' HB3' HD23 ' A' ' 153' ' ' LEU . 30.9 m-20 -93.08 96.35 10.0 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.749 -0.659 . . . . 72.41 109.39 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.496 ' HB3' HG21 ' A' ' 180' ' ' ILE . 12.8 m-85 -72.61 -32.59 66.06 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.229 0.538 . . . . 65.32 111.321 -174.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.498 ' HB3' ' HB2' ' A' ' 58' ' ' PHE . 5.3 p30 -74.54 -13.1 60.63 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.256 -0.884 . . . . 74.41 111.699 -175.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.457 HD23 ' HB3' ' A' ' 150' ' ' ASP . 1.3 mm? -109.25 20.52 18.21 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.586 0.754 . . . . 75.12 110.697 172.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.15 140.52 52.69 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.821 0.701 . . . . 62.05 110.975 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.617 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 98.3 m-85 -97.7 157.4 16.07 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 115.018 -0.992 . . . . 74.43 110.369 -168.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ASN . . . . . 0.405 ' OD1' ' HD3' ' A' ' 26' ' ' LYS . 6.6 p30 -100.56 123.43 46.1 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 114.788 -1.096 . . . . 62.13 113.381 -162.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.89 126.08 11.61 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 121.817 1.678 . . . . 62.43 109.882 160.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -85.39 -9.7 57.23 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.827 0.851 . . . . 74.31 112.592 -168.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' CYS . . . . . 0.758 ' SG ' ' HB2' ' A' ' 79' ' ' ARG . 34.7 t -55.31 -46.06 76.3 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.353 1.061 . . . . 52.31 111.785 178.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.81 -13.16 62.14 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.384 -0.825 . . . . 61.42 111.823 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -92.4 10.83 28.31 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.343 1.057 . . . . 74.32 110.054 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 124.87 -82.5 0.35 Allowed Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.824 -0.625 . . . . 72.02 112.026 170.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -135.58 99.29 0.31 Allowed Glycine 0 C--N 1.343 0.925 0 O-C-N 123.751 0.324 . . . . 43.14 112.562 -169.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 65.1 m -157.28 -159.62 0.87 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.599 1.159 . . . . 73.52 108.674 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.438 ' O ' ' HB2' ' A' ' 159' ' ' CYS . 97.1 m-85 -69.98 157.63 37.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.206 0.603 . . . . 63.24 109.723 170.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 77.7 p -67.15 151.18 48.04 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.992 0.917 . . . . 54.13 112.301 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' CYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 159' ' ' CYS . 25.4 p -104.33 116.34 31.98 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.428 -0.953 . . . . 74.32 108.428 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.462 ' HB3' ' OH ' ' A' ' 133' ' ' TYR . . . -70.83 100.5 1.93 Allowed 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.32 -0.622 . . . . 74.34 109.32 177.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 170' ' ' PRO . 87.4 mt -57.58 115.4 10.76 Favored Pre-proline 0 C--O 1.246 0.899 0 C-N-CA 124.495 1.118 . . . . 75.15 109.463 176.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.503 ' HG3' ' HB2' ' A' ' 116' ' ' PRO . 34.7 Cg_exo -60.92 131.39 36.96 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.633 2.222 . . . . 73.31 111.856 -174.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -53.57 167.51 0.93 Allowed 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 123.517 2.811 . . . . 74.22 113.659 176.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -60.46 -28.4 68.28 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.65 -0.705 . . . . 72.24 111.32 173.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.09 -14.82 59.75 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.752 0.821 . . . . 74.31 111.429 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.544 ' ND2' ' H ' ' A' ' 103' ' ' THR . 10.9 m120 -107.01 13.97 26.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.849 0.86 . . . . 53.14 110.762 173.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -95.59 105.93 17.97 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.285 -1.006 . . . . 73.35 108.285 170.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 31.1 m -77.52 150.87 79.95 Favored Pre-proline 0 CA--C 1.556 1.182 0 C-N-CA 123.262 0.625 . . . . 71.01 109.89 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.537 ' HG3' ' HB2' ' A' ' 98' ' ' SER . 28.2 Cg_endo -86.48 22.77 0.89 Allowed 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 123.108 2.539 . . . . 72.55 113.444 -174.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -133.89 157.15 46.71 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.315 0.646 . . . . 42.13 109.859 -177.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 121' ' ' THR . . . -88.38 123.03 32.54 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.013 0.925 . . . . 63.5 109.931 178.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 180' ' ' ILE . . . . . 0.572 HD11 HD21 ' A' ' 95' ' ' LEU . 2.5 mp -109.93 92.59 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 107.057 -1.46 . . . . 73.41 107.057 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' THR . . . . . 0.489 ' HB ' HG21 ' A' ' 121' ' ' THR . 2.7 t -103.54 89.08 3.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.374 -0.83 . . . . 74.32 109.752 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 108.192 -1.04 . . . . 51.15 108.192 174.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mt . . . . . 0 CA--C 1.543 0.681 0 N-CA-C 108.85 -0.796 . . . . 62.53 108.85 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -75.85 124.23 7.94 Favored 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 122.469 2.112 . . . . 72.23 109.819 176.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 173.87 -59.89 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.383 0 C-N-CA 125.021 1.328 . . . . 65.32 107.952 -174.141 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -79.92 37.17 0.65 Allowed 'Trans proline' 0 C--N 1.402 3.352 0 C-N-CA 122.276 1.984 . . . . 74.35 113.873 -177.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.488 HG11 ' HB2' ' A' ' 139' ' ' ALA . 10.8 m -76.87 -14.64 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-O 121.434 0.635 . . . . 63.43 109.796 162.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 t -101.28 109.7 21.59 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 106.263 -1.754 . . . . 74.11 106.263 161.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.62 178.45 1.65 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.256 0.836 . . . . 75.41 113.256 -172.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.7 t -51.16 145.09 8.27 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 114.608 -1.178 . . . . 52.04 109.202 162.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -49.61 -26.21 3.43 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.533 1.308 . . . . 72.32 114.533 -167.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.27 -61.27 2.22 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.984 0.913 . . . . 62.1 110.406 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 18' ' ' ARG . . . -74.87 -21.62 59.13 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.163 0.985 . . . . 74.42 111.52 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.435 ' NE1' HD11 ' A' ' 19' ' ' ILE . 24.8 t90 -70.8 -57.12 4.96 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.841 0.857 . . . . 74.21 109.848 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -65.86 -31.79 72.93 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.628 0.371 . . . . 61.2 111.207 178.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.0 -49.19 77.69 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.993 0.517 . . . . 75.34 110.657 169.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 5.9 ttt180 -58.03 -46.99 84.43 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 124.611 1.164 . . . . 63.54 110.25 -178.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.435 HD11 ' NE1' ' A' ' 15' ' ' TRP . 54.2 mt -66.78 -52.33 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 115.24 -0.891 . . . . 74.14 111.271 -176.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.92 99.56 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.672 0.608 . . . . 63.13 110.842 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.51 -40.69 63.85 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.124 0.57 . . . . 64.21 112.181 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -78.77 -29.11 44.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.405 0.282 . . . . 75.45 110.513 -177.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.0 tpt85 -76.92 -28.59 55.33 Favored 'General case' 0 C--O 1.21 -0.998 0 N-CA-C 108.923 -0.769 . . . . 74.22 108.923 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.72 80.59 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.901 0.48 . . . . 33.23 110.384 171.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.72 -45.67 93.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.681 0.793 . . . . 61.22 109.731 170.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -76.38 -13.88 60.11 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.217 -0.901 . . . . 73.23 112.612 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -77.93 -42.59 32.57 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.684 0.794 . . . . 74.31 110.425 168.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -82.84 -13.4 56.24 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 122.17 -0.331 . . . . 73.3 110.153 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -53.73 -45.24 70.44 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.996 0.918 . . . . 51.41 112.605 174.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -82.51 -14.38 55.06 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.356 0.502 . . . . 71.13 112.356 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.51 -50.93 4.76 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.272 0.629 . . . . 71.14 112.054 -174.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.9 p -107.96 -58.19 2.01 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.897 0.879 . . . . 50.43 110.581 -172.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -52.44 120.98 6.19 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.23 1.012 . . . . 53.53 111.335 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.38 -11.91 61.21 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.754 1.222 . . . . 45.24 113.062 -168.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -64.6 -24.73 67.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.685 0.794 . . . . 44.52 111.794 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 47.5 t -152.93 87.04 4.07 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 108.442 -0.947 . . . . 70.31 108.442 -174.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -87.28 129.85 2.82 Favored 'Trans proline' 0 C--N 1.367 1.505 0 C-N-CA 122.201 1.934 . . . . 74.31 114.231 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.421 HG13 ' HB2' ' A' ' 30' ' ' LEU . 15.7 mt -81.93 131.62 56.49 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 108.026 -1.102 . . . . 75.11 108.026 164.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.688 ' HD3' ' HA2' ' A' ' 162' ' ' GLY . 87.0 Cg_exo -49.03 130.68 24.31 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 123.634 2.89 . . . . 74.01 112.767 172.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -47.7 -37.9 28.39 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 124.835 3.69 . . . . 73.05 115.683 -169.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.05 83.51 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.335 0.254 . . . . 44.14 110.756 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.22 -33.35 65.29 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.871 0.868 . . . . 75.14 110.6 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -63.45 -22.24 66.77 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.617 0.767 . . . . 75.14 111.461 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.93 -35.06 89.85 Favored Glycine 0 C--N 1.348 1.241 0 CA-C-N 116.416 -0.357 . . . . 70.11 113.013 171.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.81 13.82 15.28 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.756 0.822 . . . . 62.24 112.11 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -88.56 119.4 28.98 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.655 -0.498 . . . . 74.52 109.655 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -108.22 -47.96 3.44 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 108.04 -1.096 . . . . 73.44 108.04 166.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.47 146.52 4.82 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 114.624 -1.171 . . . . 63.43 110.344 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.17 106.69 6.81 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.556 -0.905 . . . . 42.5 108.556 176.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 172.03 10.65 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.527 -0.916 . . . . 72.01 108.527 170.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -166.6 164.66 16.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.167 0.587 . . . . 72.12 110.332 -170.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -59.9 155.73 15.88 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.024 0.828 . . . . 65.32 109.421 171.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -74.8 150.82 39.18 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 108.128 -1.064 . . . . 73.11 108.128 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.415 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.5 mp -69.14 122.25 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 109.405 -0.591 . . . . 72.13 109.405 -167.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -112.26 128.32 56.23 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 122.976 0.51 . . . . 74.34 109.9 -172.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.09 -9.29 59.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.519 1.128 . . . . 73.03 112.096 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.1 m -70.28 -31.59 69.02 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.853 0.461 . . . . 74.43 110.619 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 182' ' ' ALA . 61.1 m-85 -104.17 12.65 33.59 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.444 0.698 . . . . 74.31 110.316 -178.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -93.35 83.26 4.55 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 107.194 -1.41 . . . . 75.44 107.194 165.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 m -104.07 170.19 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-O 120.925 0.393 . . . . 71.22 110.418 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.77 145.2 43.01 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.753 -0.832 . . . . 74.44 108.753 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.409 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . . . -127.63 141.18 51.69 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.27 0.628 . . . . 63.2 110.448 -178.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.4 ttm105 -73.66 116.32 14.11 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.01 -0.737 . . . . 74.3 109.01 -176.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -77.86 106.88 9.99 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.389 -0.823 . . . . 72.45 109.037 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -106.58 97.6 17.43 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 107.688 -1.227 . . . . 63.34 107.688 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -63.48 144.22 89.94 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 122.526 2.151 . . . . 72.13 110.482 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.0 98.53 0.43 Allowed 'General case' 0 C--N 1.345 0.405 0 CA-C-O 121.349 0.595 . . . . 74.42 110.232 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -61.87 -35.16 77.49 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.337 -1.301 . . . . 64.12 109.8 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -126.32 96.26 36.82 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 124.752 1.221 . . . . 70.24 108.921 168.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.02 121.11 5.24 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 122.508 2.139 . . . . 73.02 112.779 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -120.0 140.85 50.32 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.27 0.628 . . . . 60.05 111.546 -177.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.14 110.16 15.29 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.109 0.964 . . . . 65.14 110.129 174.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 m -106.52 160.04 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.24 1.016 . . . . 73.24 109.946 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -109.65 120.05 41.29 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.938 0.895 . . . . 73.13 108.646 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.619 ' HB2' ' HB1' ' A' ' 168' ' ' ALA . 0.7 OUTLIER -113.82 127.21 55.91 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 107.476 -1.305 . . . . 75.44 107.476 175.058 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.09 153.26 41.33 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 117.984 0.356 . . . . 64.24 110.322 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.7 p -128.5 167.17 17.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.576 0.35 . . . . 74.34 110.658 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.1 p -92.73 -26.66 17.66 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.152 0.981 . . . . 74.04 111.737 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.7 -30.07 59.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.214 0.606 . . . . 72.03 112.254 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.64 -123.11 1.05 Allowed Glycine 0 C--N 1.348 1.215 0 CA-C-O 118.888 -0.951 . . . . 63.15 112.968 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -68.88 153.64 72.38 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 123.305 2.67 . . . . 54.14 112.791 -172.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.06 140.77 91.54 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.68 2.254 . . . . 73.04 112.626 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.04 125.97 40.95 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 124.188 0.995 . . . . 74.42 109.395 -176.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -83.27 133.46 34.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.255 0.622 . . . . 72.55 110.048 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -141.07 136.37 31.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.372 0.669 . . . . 62.11 109.754 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -94.37 132.19 39.24 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.413 -0.958 . . . . 73.41 108.413 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.535 ' HD2' HG21 ' A' ' 103' ' ' THR . 10.3 mtm180 -72.87 113.31 9.76 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.09 -0.707 . . . . 75.32 109.09 -175.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -84.05 -42.79 15.78 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.08 0.952 . . . . 72.04 111.191 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.99 174.61 15.09 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.165 -0.925 . . . . 74.14 109.895 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.565 HG12 HG22 ' A' ' 101' ' ' THR . 0.1 OUTLIER -139.24 119.89 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.025 0 N-CA-C 107.706 -1.22 . . . . 73.04 107.706 174.37 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' A' ' 104' ' ' ALA . 1.5 mm? -96.96 117.95 32.28 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.147 0.979 . . . . 61.1 110.798 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.58 121.26 6.19 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-O 119.648 -0.529 . . . . 72.53 112.136 -176.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.409 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 33.9 p90 -155.1 -176.21 5.82 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 117.587 0.693 . . . . 73.53 110.206 -173.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -135.07 160.06 39.53 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 123.133 0.573 . . . . 73.41 110.359 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.6 tp -159.02 135.11 8.96 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 107.247 -1.39 . . . . 72.14 107.247 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.11 -108.56 2.45 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-N 117.988 0.358 . . . . 64.43 112.954 -174.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -123.89 10.1 8.86 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.221 1.009 . . . . 70.42 109.39 175.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m -117.9 121.46 40.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.639 0.375 . . . . 72.11 110.952 -171.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -98.22 129.91 44.96 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.442 -0.947 . . . . 70.51 108.442 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -143.79 165.55 27.36 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.48 0.657 . . . . 75.13 110.582 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.565 HG22 HG12 ' A' ' 90' ' ' VAL . 3.2 m -124.89 119.34 28.53 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 107.091 -1.448 . . . . 73.33 107.091 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mp -104.67 133.94 48.66 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.386 -0.968 . . . . 72.11 108.386 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.535 HG21 ' HD2' ' A' ' 87' ' ' ARG . 58.3 m -84.65 133.55 34.4 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 120.823 0.344 . . . . 74.45 110.368 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.563 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -98.08 121.11 39.6 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 107.822 -1.177 . . . . 74.05 107.822 171.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -94.3 160.96 14.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.574 0.702 . . . . 74.15 111.384 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.508 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 42.3 ttm180 -101.78 113.38 26.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.057 -1.429 . . . . 73.2 108.412 -173.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.94 110.2 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.445 1.098 . . . . 61.15 108.841 177.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.3 122.76 13.28 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.636 1.575 . . . . 65.42 112.282 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.86 -16.7 56.19 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.756 -0.657 . . . . 54.42 113.429 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -88.21 120.74 29.86 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.664 0.786 . . . . 71.4 110.173 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.2 t -60.19 -24.67 64.98 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.377 1.471 . . . . 44.23 113.391 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.3 m -98.85 166.99 11.04 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.069 0.547 . . . . 61.23 111.249 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.501 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 82.9 mt -101.36 137.48 39.65 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.715 1.206 . . . . 52.2 108.892 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -94.02 97.18 10.15 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.965 -0.754 . . . . 72.33 108.965 -170.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.563 HG22 ' HA ' ' A' ' 104' ' ' ALA . 55.1 t -104.96 107.22 58.17 Favored Pre-proline 0 N--CA 1.483 1.223 0 C-N-CA 123.008 0.523 . . . . 60.41 110.146 -176.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.8 144.97 17.66 Favored 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 122.215 1.943 . . . . 74.4 110.071 168.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -159.57 156.48 28.13 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 122.372 -0.205 . . . . 74.43 110.562 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.8 p -121.15 145.8 47.44 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.096 -0.705 . . . . 71.52 109.096 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -118.29 -173.77 2.53 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.547 1.139 . . . . 53.42 109.035 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -81.03 -21.47 40.12 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 109.994 -0.373 . . . . 75.44 109.994 163.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.9 m -71.53 -34.89 70.45 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.171 0.988 . . . . 63.03 111.004 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 60.4 p -71.41 -39.31 71.18 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.708 -0.678 . . . . 73.25 109.822 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.07 -35.21 77.95 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.131 0.972 . . . . 74.54 110.941 172.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -74.6 -18.53 60.55 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.551 1.14 . . . . 74.45 110.849 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 92.33 -21.59 37.09 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 119.138 -0.812 . . . . 42.41 114.96 175.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -73.19 -12.5 60.9 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 117.881 0.841 . . . . 61.31 113.205 -170.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.529 ' HB ' ' HD3' ' A' ' 132' ' ' ARG . 59.9 p -123.63 155.98 36.7 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 106.538 -1.653 . . . . 64.44 106.538 159.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.406 ' OH ' ' HB3' ' A' ' 160' ' ' ALA . 8.3 m-85 -40.89 118.19 0.95 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 113.685 0.994 . . . . 71.22 113.685 -170.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.15 -34.87 70.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.605 1.162 . . . . 55.34 112.69 -173.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -84.36 9.01 14.27 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.543 0.737 . . . . 61.41 111.591 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 108.02 178.21 22.13 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 116.049 -0.523 . . . . 74.04 112.273 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.529 ' HD3' ' HB ' ' A' ' 127' ' ' THR . 78.3 mtm180 -130.74 -179.97 5.61 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 124.903 1.281 . . . . 71.21 108.854 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -126.49 157.46 38.65 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 124.686 1.195 . . . . 73.31 109.986 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.9 tt -141.93 121.13 13.02 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 105.28 -2.118 . . . . 72.34 105.28 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -98.19 109.34 22.11 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.096 -1.446 . . . . 75.41 107.096 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 113' ' ' LEU . 89.0 t -98.92 123.5 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 115.279 -0.873 . . . . 74.21 110.506 -169.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -82.35 114.71 53.33 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 107.115 -1.439 . . . . 65.23 107.115 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.33 -23.89 72.02 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.768 2.312 . . . . 74.33 113.619 -175.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.488 ' HB2' HG11 ' A' ' 8' ' ' VAL . . . 52.85 32.14 11.88 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 114.294 1.22 . . . . 65.3 114.294 176.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 65.86 25.76 71.98 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.661 -0.7 . . . . 73.43 113.997 -176.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.65 163.4 23.9 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.239 0.829 . . . . 65.4 113.239 -175.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -139.09 174.17 10.79 Favored 'General case' 0 C--O 1.253 1.275 0 C-N-CA 124.772 1.229 . . . . 71.33 108.119 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.66 108.74 2.12 Favored Glycine 0 C--N 1.342 0.917 0 C-N-CA 123.27 0.462 . . . . 75.3 113.495 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.35 10.44 44.77 Favored Glycine 0 C--N 1.343 0.949 0 O-C-N 124.142 0.554 . . . . 74.14 113.317 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.48 -170.75 3.22 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 109.33 -0.618 . . . . 75.54 109.33 167.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -128.15 158.73 37.23 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.775 0.43 . . . . 61.11 110.38 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 15.9 m -135.94 146.51 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 108.429 -0.952 . . . . 75.43 108.429 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.8 105.96 6.11 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 122.738 0.415 . . . . 61.03 110.506 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 7.3 mt -94.81 86.32 4.67 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-O 122.548 1.166 . . . . 64.21 109.228 173.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.64 105.97 17.71 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 113.421 -1.718 . . . . 74.12 109.027 173.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.539 ' HB3' HG21 ' A' ' 180' ' ' ILE . 24.9 m-85 -71.59 -15.27 62.26 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.514 0.726 . . . . 73.45 110.481 174.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.534 ' HB3' ' HB1' ' A' ' 182' ' ' ALA . 2.3 p30 -76.69 -3.83 40.06 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.56 1.144 . . . . 71.44 112.681 173.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -112.44 5.61 18.18 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.176 0.591 . . . . 53.2 111.151 168.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.79 131.02 49.62 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.41 0.624 . . . . 50.22 111.845 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -99.45 166.47 11.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.103 1.361 . . . . 74.01 109.665 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -152.48 141.97 14.57 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 124.467 1.107 . . . . 74.1 108.165 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.39 120.43 7.38 Favored 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 121.212 1.274 . . . . 71.11 110.605 177.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.432 ' CD1' HD12 ' A' ' 30' ' ' LEU . 86.0 m-85 -85.6 -2.75 58.49 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.742 0.817 . . . . 75.21 112.338 -175.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 11.0 m -62.02 -20.4 63.88 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.183 0.993 . . . . 61.34 112.197 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.428 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . . . -63.7 -32.47 73.97 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.0 0.52 . . . . 45.35 112.063 174.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -65.07 -12.3 49.1 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.652 0.781 . . . . 72.51 110.962 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.688 ' HA2' ' HD3' ' A' ' 39' ' ' PRO . . . -93.23 -40.13 4.91 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 124.122 0.889 . . . . 50.31 111.042 172.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 163.71 -40.65 0.32 Allowed Glycine 0 C--N 1.352 1.434 0 O-C-N 123.39 0.112 . . . . 53.15 112.876 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.1 t -157.26 162.29 39.21 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.037 0.935 . . . . 64.54 109.542 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 160' ' ' ALA . 2.0 p90 -152.96 139.19 18.39 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.667 0.387 . . . . 72.33 110.868 -168.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 63.3 p -83.64 94.12 8.03 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 109.26 -0.645 . . . . 75.22 109.26 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 53.2 t -121.93 112.68 18.6 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 108.229 -1.026 . . . . 65.34 108.229 173.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' A' ' 75' ' ' LEU . . . -71.15 112.19 7.1 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 108.225 -1.028 . . . . 60.21 108.225 170.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 68.6 mt -59.18 122.69 65.24 Favored Pre-proline 0 CA--C 1.547 0.864 0 O-C-N 124.405 1.065 . . . . 71.31 109.613 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.71 146.67 96.54 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.792 2.328 . . . . 73.34 112.479 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.19 158.73 21.05 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 122.243 1.962 . . . . 74.23 112.571 168.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -54.04 -27.96 35.58 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 114.022 1.119 . . . . 75.14 114.022 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -79.46 -15.39 57.88 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.178 0.513 . . . . 74.05 110.753 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -88.73 8.24 29.79 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.163 0.985 . . . . 74.11 110.66 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -90.25 122.86 33.55 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.854 -0.529 . . . . 61.03 109.91 172.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 41.4 t -98.43 109.99 54.83 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.568 1.147 . . . . 74.24 108.094 170.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.69 57.04 2.4 Favored 'Trans proline' 0 C--N 1.374 1.913 0 C-N-CA 124.087 3.191 . . . . 73.24 113.274 173.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -146.06 145.1 30.44 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.292 1.037 . . . . 73.45 108.892 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -84.35 103.5 13.57 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.281 0.633 . . . . 35.4 109.441 177.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' ILE . . . . . 0.539 HG21 ' HB3' ' A' ' 151' ' ' PHE . 1.9 mp -85.95 98.02 6.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 108.463 -0.94 . . . . 64.13 108.463 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 40.7 p -105.44 67.75 0.78 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 122.547 1.165 . . . . 63.22 108.77 171.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.534 ' HB1' ' HB3' ' A' ' 152' ' ' ASN . . . . . . . . 0 N--CA 1.473 0.683 0 CA-C-N 113.571 -1.65 . . . . 64.12 106.79 170.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 tt . . . . . 0 CA--C 1.561 1.369 0 N-CA-C 109.314 -0.624 . . . . 74.2 109.314 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 19.5 Cg_endo -67.48 127.43 16.45 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 121.936 1.757 . . . . 62.51 110.997 -177.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mt -172.63 -59.98 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.192 1.397 . . . . 74.34 108.953 -173.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -84.06 36.25 0.58 Allowed 'Trans proline' 0 C--N 1.393 2.874 0 C-N-CA 122.201 1.934 . . . . 72.14 112.618 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.65 -28.85 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.671 0.788 . . . . 74.11 109.603 171.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -87.78 104.13 16.28 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 106.432 -1.692 . . . . 75.25 106.432 156.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -71.53 -179.3 2.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.379 -0.826 . . . . 75.31 111.833 -169.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.8 t -54.24 135.45 44.28 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 109.225 -0.657 . . . . 75.51 109.225 172.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -45.86 -38.35 7.26 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 115.105 1.521 . . . . 64.43 115.105 -159.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.29 -52.61 21.61 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.915 0.486 . . . . 72.33 110.712 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -63.42 -42.83 98.74 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.748 0.819 . . . . 75.24 110.408 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.475 ' NE1' HD11 ' A' ' 19' ' ' ILE . 28.2 t90 -56.91 -49.11 76.59 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.885 1.274 . . . . 74.24 110.788 177.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.21 -42.67 99.01 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.476 -0.784 . . . . 74.43 110.735 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.48 99.35 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.777 0.673 . . . . 51.3 111.979 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 34.6 mmt180 -63.05 -47.84 81.27 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.71 0.404 . . . . 65.31 110.35 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.533 HG23 HD13 ' A' ' 153' ' ' LEU . 57.4 mt -65.31 -37.73 80.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 116.388 -0.369 . . . . 75.44 110.492 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . . . -60.6 -44.17 96.56 Favored 'General case' 0 C--O 1.251 1.169 0 C-N-CA 123.032 0.533 . . . . 75.33 110.314 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.29 93.61 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.92 -1.037 . . . . 73.1 110.445 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -68.78 -32.48 72.24 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.871 -0.604 . . . . 52.54 111.498 175.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.621 ' HE ' ' HA ' ' A' ' 20' ' ' ALA . 71.7 mtm180 -65.47 -51.47 59.88 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 107.668 -1.234 . . . . 72.41 107.668 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.55 -51.83 65.75 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.382 1.051 . . . . 65.22 111.301 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.53 -53.59 27.16 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 124.013 0.821 . . . . 51.02 112.046 -174.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HE3' ' CE1' ' A' ' 155' ' ' TYR . 29.3 mmmt -71.74 -20.28 61.91 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.649 0.379 . . . . 70.5 111.346 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.0 -38.39 27.58 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.156 0.582 . . . . 51.12 111.058 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -84.25 -16.66 42.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 122.249 -0.282 . . . . 64.35 111.104 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -47.5 -53.6 13.87 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.574 1.55 . . . . 73.41 112.107 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.64 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.91 -8.88 52.36 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.4 -0.818 . . . . 75.02 113.182 -174.128 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.51 -51.03 3.42 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.202 0.601 . . . . 61.01 110.295 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -81.46 -58.49 3.01 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.433 0.693 . . . . 54.24 110.848 -170.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -52.93 106.36 0.16 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.491 1.117 . . . . 62.14 110.915 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -76.69 -8.56 57.5 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.428 0.691 . . . . 72.22 111.682 -173.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -11.83 58.64 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.107 0.563 . . . . 72.34 109.821 172.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -142.35 59.09 8.38 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.247 0.619 . . . . 42.33 109.459 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -84.11 166.27 12.83 Favored 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.561 2.174 . . . . 73.4 113.376 -172.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -118.59 136.77 24.27 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 124.13 0.972 . . . . 72.14 108.661 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.2 135.21 59.21 Favored 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.057 2.505 . . . . 75.4 112.649 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.565 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 11.9 Cg_endo -52.73 -19.37 10.56 Favored 'Trans proline' 0 C--N 1.387 2.596 0 C-N-CA 124.063 3.175 . . . . 72.42 114.576 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.33 57.69 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.64 0.376 . . . . 63.42 111.323 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.43 -37.08 52.46 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.067 0.547 . . . . 74.41 110.002 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.565 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 75.3 ttt180 -68.23 -14.5 63.03 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.11 -0.95 . . . . 73.4 111.594 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.52 -36.43 92.57 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 111.51 -0.636 . . . . 65.32 111.51 171.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.82 2.19 31.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.842 0.857 . . . . 72.14 113.214 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -81.15 112.79 18.83 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 109.255 -0.646 . . . . 65.32 109.255 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -138.52 24.7 2.66 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.388 -1.338 . . . . 72.21 107.388 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.95 115.66 2.6 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 114.438 -1.256 . . . . 53.0 110.245 -165.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.428 HD22 ' H ' ' A' ' 49' ' ' LEU . 2.0 mm? -73.48 176.93 5.64 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 117.561 0.68 . . . . 73.15 109.731 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -70.83 112.88 7.37 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.197 0.522 . . . . 63.44 109.863 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -128.25 118.89 24.09 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.125 -1.435 . . . . 71.03 107.125 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -83.03 175.15 10.25 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.249 1.019 . . . . 74.34 109.761 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -78.04 169.97 17.38 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.575 -0.898 . . . . 70.31 108.575 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 mp -73.38 116.07 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 N-CA-C 109.523 -0.547 . . . . 62.11 109.523 -173.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -90.6 105.34 17.75 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.089 0.956 . . . . 75.24 110.339 -172.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.65 -17.1 58.06 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.19 0.596 . . . . 70.51 112.577 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.2 t -67.32 -47.46 70.47 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.562 0.745 . . . . 62.54 111.552 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -94.59 34.69 1.29 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.219 1.008 . . . . 73.25 112.598 -175.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.425 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 31.6 ptt180 -104.17 102.96 12.68 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.935 -1.135 . . . . 74.15 107.935 162.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.4 m -100.53 161.0 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.184 -0.673 . . . . 73.53 109.184 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.36 113.33 26.74 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.373 -0.973 . . . . 71.11 108.373 175.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.438 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -104.23 131.36 51.63 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.349 0.66 . . . . 61.21 109.909 -173.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -74.18 118.23 16.9 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 123.504 0.721 . . . . 74.32 109.14 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -84.34 123.34 30.08 Favored 'General case' 0 C--O 1.253 1.284 0 C-N-CA 124.65 1.18 . . . . 71.21 110.262 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -128.3 105.07 19.71 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.06 0.944 . . . . 74.31 108.601 170.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 52.6 Cg_endo -66.42 150.04 84.47 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.458 2.105 . . . . 43.31 111.074 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.91 122.42 17.32 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.641 0.376 . . . . 63.35 110.642 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -54.41 -39.85 67.69 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.288 1.035 . . . . 75.12 111.462 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -128.52 94.17 36.08 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 123.353 0.661 . . . . 73.01 110.038 172.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.41 120.73 7.99 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.125 1.883 . . . . 73.22 111.188 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.467 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 10.9 pt-20 -139.16 156.23 47.28 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.252 0.621 . . . . 74.24 110.828 -176.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.56 121.45 25.26 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 123.57 0.544 . . . . 71.25 110.492 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.2 m -118.81 155.2 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.154 1.381 . . . . 62.23 108.563 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.86 129.35 46.72 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.402 0.62 . . . . 75.22 109.663 176.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.486 HD23 ' HD2' ' A' ' 85' ' ' TYR . 2.7 mm? -108.48 133.93 51.96 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 106.037 -1.838 . . . . 71.51 106.037 170.312 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.571 ' HB2' ' HB2' ' A' ' 169' ' ' LEU . 42.0 mt-10 -65.5 162.93 16.96 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 117.939 0.336 . . . . 62.45 110.455 -176.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.4 p -135.03 159.2 42.26 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.09 -0.707 . . . . 73.25 109.09 173.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.9 p -85.97 -22.91 27.11 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.124 -0.944 . . . . 71.33 110.863 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.483 ' HD3' ' HB3' ' A' ' 166' ' ' SER . 35.1 ptt85 -84.84 -25.42 28.09 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.438 0.903 . . . . 75.02 113.438 -175.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.84 -118.19 0.88 Allowed Glycine 0 N--CA 1.475 1.299 0 CA-C-O 118.667 -1.074 . . . . 31.24 112.475 -171.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -57.39 135.55 70.71 Favored 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 123.507 2.805 . . . . 55.24 112.601 -174.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.75 147.06 74.72 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.898 2.399 . . . . 61.13 112.639 -174.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.55 109.66 17.58 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.885 0.874 . . . . 74.21 109.103 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.12 127.53 41.25 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.783 0.433 . . . . 73.23 110.446 -176.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.571 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.7 m-85 -138.2 155.56 48.55 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.375 0.67 . . . . 73.1 109.226 -174.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 74.1 m -87.51 152.3 22.32 Favored 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 109.52 -0.548 . . . . 74.21 109.52 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.467 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 26.0 mtm180 -77.38 109.51 11.36 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.995 0.816 . . . . 74.15 109.786 174.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -88.83 -54.24 4.23 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.099 0.476 . . . . 63.24 111.06 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -156.0 172.48 18.32 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.352 -0.84 . . . . 64.34 110.91 -171.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 36.5 t -136.08 120.37 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 N-CA-C 106.955 -1.498 . . . . 60.02 106.955 173.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.438 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.2 mm? -101.39 120.32 40.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.597 1.159 . . . . 73.3 110.873 -176.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.77 129.71 9.97 Favored Glycine 0 C--N 1.347 1.151 0 N-CA-C 110.777 -0.929 . . . . 42.42 110.777 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -152.19 -173.03 4.41 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 117.793 0.796 . . . . 73.44 108.993 -175.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.538 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 6.7 p-10 -129.07 139.9 51.82 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 122.516 0.326 . . . . 71.02 110.643 173.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.6 mt -146.89 139.89 25.27 Favored 'General case' 0 C--O 1.257 1.471 0 C-N-CA 124.594 1.158 . . . . 71.2 109.75 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.6 -109.27 2.25 Favored Glycine 0 C--N 1.347 1.191 0 O-C-N 124.045 0.841 . . . . 44.35 114.231 167.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.06 -31.09 62.71 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.615 1.166 . . . . 71.02 113.17 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.2 m -159.92 -179.41 7.79 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 114.504 1.298 . . . . 71.4 114.504 -166.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 56.4 p-80 -84.48 119.72 25.48 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.201 -1.363 . . . . 70.21 108.595 171.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -127.55 163.12 24.87 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.801 0.84 . . . . 73.22 110.0 -171.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.0 m -135.81 141.8 44.77 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.141 -0.481 . . . . 74.55 111.169 -168.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.8 mt -123.19 141.35 52.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.635 0.774 . . . . 65.31 109.822 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.7 m -92.27 130.1 38.05 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.825 -0.435 . . . . 55.03 109.825 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.466 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -102.59 130.45 49.47 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.272 1.029 . . . . 73.34 109.666 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.571 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 55.1 m-85 -105.47 154.5 20.26 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 112.367 0.506 . . . . 71.22 112.367 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.582 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 55.9 ttm-85 -106.54 130.86 54.24 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.113 0.965 . . . . 63.22 108.783 -178.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.578 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 70.5 t -109.82 128.58 65.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.117 -0.947 . . . . 61.22 108.69 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.44 131.62 50.66 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.811 0.844 . . . . 73.3 110.389 172.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.06 -23.82 8.88 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.919 -0.378 . . . . 60.53 113.068 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.578 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 12.1 tp10 -105.07 130.83 53.17 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.552 0.741 . . . . 73.11 110.186 -176.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.7 t -81.52 -18.84 43.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.147 0.979 . . . . 61.34 111.746 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.3 m -95.38 138.56 32.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.054 0.542 . . . . 72.41 110.859 -176.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 138' ' ' PRO . 22.8 mt -81.9 130.16 34.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.533 1.133 . . . . 64.24 110.594 -176.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -88.06 112.67 22.89 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.073 -0.714 . . . . 74.15 109.073 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 104' ' ' ALA . 40.3 t -114.43 98.56 49.28 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.286 1.035 . . . . 65.13 109.024 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -80.04 130.59 8.46 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 122.254 1.97 . . . . 75.41 109.615 165.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -153.02 156.2 38.34 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.23 0.538 . . . . 75.14 112.017 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.6 p -113.55 155.33 25.59 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.898 -1.046 . . . . 44.45 108.634 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -137.07 -168.12 2.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.889 0.876 . . . . 72.53 109.152 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.06 -26.26 48.16 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.208 0.458 . . . . 63.41 111.079 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -25.74 68.0 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 123.955 0.902 . . . . 65.33 111.744 -175.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.453 HG22 ' HD1' ' A' ' 128' ' ' TYR . 69.8 p -66.53 -36.64 83.19 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.898 0.879 . . . . 73.13 112.191 176.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.88 -17.87 64.05 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.367 -0.833 . . . . 62.51 111.877 -174.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -74.08 -21.37 59.94 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.332 0.653 . . . . 64.43 111.545 173.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.24 -15.52 11.61 Favored Glycine 0 C--N 1.352 1.454 0 N-CA-C 115.134 0.814 . . . . 64.41 115.134 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -71.59 -53.9 12.22 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 117.523 0.661 . . . . 75.1 110.112 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.7 p -94.49 133.98 37.52 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 118.403 -0.808 . . . . 61.23 109.293 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.453 ' HD1' HG22 ' A' ' 122' ' ' THR . 7.3 p90 24.7 68.09 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 126.153 1.781 . . . . 71.21 114.721 165.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.06 -10.29 4.12 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 114.528 1.307 . . . . 55.22 114.528 -168.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -107.78 10.55 28.73 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.684 0.794 . . . . 72.43 112.343 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.441 ' HA2' HG21 ' A' ' 122' ' ' THR . . . 107.41 174.67 22.5 Favored Glycine 0 C--N 1.343 0.967 0 N-CA-C 111.476 -0.65 . . . . 70.42 111.476 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -119.86 153.53 35.68 Favored 'General case' 0 C--O 1.256 1.403 0 C-N-CA 124.113 0.965 . . . . 70.44 108.478 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.584 ' HD2' ' HD2' ' A' ' 155' ' ' TYR . 0.0 OUTLIER -100.55 165.13 11.57 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.236 -1.024 . . . . 75.42 108.236 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.478 HD22 HG22 ' A' ' 136' ' ' VAL . 0.8 OUTLIER -149.01 145.27 27.22 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 107.27 -1.382 . . . . 74.53 107.27 170.259 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -121.38 101.27 7.52 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 107.463 -1.31 . . . . 71.44 107.463 171.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.478 HG22 HD22 ' A' ' 134' ' ' LEU . 46.6 t -95.25 139.91 17.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 115.142 -0.936 . . . . 65.44 109.113 -171.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -85.81 117.59 69.01 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 108.03 -1.1 . . . . 63.23 108.03 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.416 ' HB3' HD11 ' A' ' 113' ' ' LEU . 35.4 Cg_endo -65.41 -24.41 57.18 Favored 'Trans proline' 0 C--N 1.382 2.317 0 C-N-CA 122.535 2.157 . . . . 52.04 112.376 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 62.91 19.62 11.68 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.739 1.275 . . . . 44.15 111.771 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.96 37.68 53.88 Favored Glycine 0 C--N 1.358 1.765 0 CA-C-N 116.145 -0.48 . . . . 65.0 113.815 -166.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.56 161.96 27.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.435 0.694 . . . . 74.24 110.1 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -136.3 -173.35 3.38 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.094 0.558 . . . . 74.4 110.69 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.38 108.66 2.04 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-N 115.012 -0.995 . . . . 64.03 113.126 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.8 -9.16 34.42 Favored Glycine 0 C--N 1.336 0.574 0 CA-C-O 119.506 -0.608 . . . . 64.3 113.463 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.455 ' HB3' ' HG2' ' A' ' 5' ' ' PRO . 26.5 m-20 -80.92 -179.63 7.41 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.544 -0.91 . . . . 75.24 108.544 169.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -138.9 155.34 48.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.69 0.757 . . . . 72.34 111.308 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.04 146.08 28.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 N-CA-C 107.294 -1.372 . . . . 73.52 107.294 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.89 122.1 25.02 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.905 -0.406 . . . . 74.21 109.905 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.4 mt -92.48 85.07 5.22 Favored 'General case' 0 C--O 1.249 1.054 0 N-CA-C 107.821 -1.177 . . . . 73.24 107.821 169.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.492 ' HB2' HD23 ' A' ' 153' ' ' LEU . 2.9 m-20 -79.71 100.85 8.09 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 114.23 -1.35 . . . . 54.44 107.479 170.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -69.4 -14.73 63.06 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.203 0.601 . . . . 75.4 110.766 178.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.401 HD21 ' HZ2' ' A' ' 15' ' ' TRP . 39.8 p30 -70.24 -23.82 62.97 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.471 0.708 . . . . 72.51 112.236 175.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.533 HD13 HG23 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -75.72 -20.92 58.0 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 118.878 -0.582 . . . . 60.44 111.414 176.08 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -40.49 139.25 0.81 Allowed 'General case' 0 N--CA 1.482 1.157 0 O-C-N 125.153 1.533 . . . . 74.21 114.064 -164.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.584 ' HD2' ' HD2' ' A' ' 133' ' ' TYR . 54.0 t80 -96.12 165.18 12.36 Favored 'General case' 0 C--O 1.262 1.712 0 CA-C-N 115.16 -0.927 . . . . 74.31 109.802 -168.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.56 122.2 61.46 Favored Pre-proline 0 N--CA 1.446 -0.653 0 CA-C-N 114.055 -1.43 . . . . 74.54 112.037 -160.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' PRO . . . . . 0.45 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 6.7 Cg_exo -76.3 125.6 8.57 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.561 2.174 . . . . 64.21 108.136 162.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 69.5 m-85 -74.38 -4.59 37.37 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.849 0.685 . . . . 71.51 112.849 -172.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 66.1 m -64.78 -25.52 67.96 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.818 0.847 . . . . 54.31 111.392 170.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -80.91 9.69 6.09 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.981 0.913 . . . . 31.13 112.02 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 37.3 m-85 -115.16 -8.87 12.36 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.316 1.047 . . . . 71.32 108.999 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.56 -87.64 0.82 Allowed Glycine 0 C--N 1.351 1.396 0 CA-C-N 115.877 -0.601 . . . . 45.43 113.26 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -94.95 22.76 36.45 Favored Glycine 0 N--CA 1.476 1.349 0 N-CA-C 114.561 0.584 . . . . 65.44 114.561 -165.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 16.5 p -140.04 68.9 1.35 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.367 -1.346 . . . . 74.02 107.367 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -88.83 78.47 7.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.852 0.834 . . . . 74.23 110.879 -162.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.483 ' HB3' ' HD3' ' A' ' 79' ' ' ARG . 16.2 p -119.37 100.77 7.51 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.705 0.802 . . . . 70.04 110.25 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 157' ' ' PRO . 43.8 t -130.28 133.61 46.62 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.518 0.727 . . . . 32.02 110.074 174.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -80.56 99.68 8.21 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 108.903 -0.777 . . . . 23.41 108.903 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.571 ' HB2' ' HB2' ' A' ' 76' ' ' GLU . 62.0 mt -68.13 121.69 81.12 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.363 1.065 . . . . 75.53 110.378 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.518 ' HB2' ' HB2' ' A' ' 174' ' ' ASN . 68.5 Cg_endo -82.33 166.13 16.24 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 123.09 2.526 . . . . 70.52 112.868 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.98 169.57 21.87 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.283 1.989 . . . . 73.13 111.767 169.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.15 -21.12 64.8 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.361 0.664 . . . . 72.13 112.194 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.04 -22.78 63.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.003 0.921 . . . . 73.23 111.056 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.518 ' HB2' ' HB2' ' A' ' 170' ' ' PRO . 3.9 m-20 -104.37 35.78 2.6 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.066 0.947 . . . . 74.45 109.833 176.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -109.44 124.23 50.68 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 109.042 -0.725 . . . . 74.34 109.042 170.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 41.8 t -97.49 120.26 61.11 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 108.613 -0.884 . . . . 73.41 108.613 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -73.62 50.05 1.94 Allowed 'Trans proline' 0 C--N 1.37 1.664 0 C-N-CA 123.792 2.995 . . . . 62.24 112.944 171.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -145.83 152.48 39.58 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.166 0.986 . . . . 74.12 108.555 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -93.44 113.07 25.13 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.762 0.425 . . . . 75.3 110.094 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.3 mp -96.87 98.27 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 108.274 -1.01 . . . . 65.04 108.274 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 26.9 p -97.31 58.39 1.5 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.488 1.137 . . . . 64.23 109.714 174.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.841 0 CA-C-N 113.65 -1.613 . . . . 62.21 107.454 176.789 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.3 tt . . . . . 0 CA--C 1.575 1.937 0 N-CA-C 110.048 -0.353 . . . . 65.13 110.048 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.91 126.75 10.23 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.578 2.185 . . . . 64.33 111.446 -174.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -166.68 -55.05 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 124.378 1.071 . . . . 72.05 109.941 -170.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -84.82 26.18 0.66 Allowed 'Trans proline' 0 C--N 1.399 3.218 0 C-N-CA 122.343 2.028 . . . . 73.13 111.863 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.18 -26.32 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.418 1.487 . . . . 63.01 110.914 177.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -86.3 33.29 0.62 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.167 1.387 . . . . 71.14 110.673 173.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 40.94 -153.38 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.935 1.294 . . . . 63.53 113.83 -174.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -103.33 152.75 21.19 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 106.06 -1.83 . . . . 75.51 106.06 166.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -43.3 -45.44 5.92 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 114.901 1.445 . . . . 63.44 114.901 -168.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.84 -48.37 71.86 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.853 0.461 . . . . 64.34 111.86 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.26 -34.79 78.16 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.69 0.796 . . . . 44.53 111.744 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.487 ' O ' HG13 ' A' ' 19' ' ' ILE . 41.8 t90 -67.0 -44.97 78.99 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.772 1.229 . . . . 74.43 109.367 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -60.56 -39.64 88.72 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.847 -1.069 . . . . 75.34 110.546 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.02 -37.5 86.04 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.57 0.748 . . . . 74.52 112.093 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 2.7 mmp_? -61.42 -45.31 94.84 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.769 0.428 . . . . 55.41 110.752 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.538 HG21 HD12 ' A' ' 54' ' ' ILE . 58.0 mt -64.54 -48.1 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 123.965 0.791 . . . . 74.14 110.59 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.42 90.31 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.475 0.71 . . . . 71.21 111.433 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -46.81 74.37 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.631 0.772 . . . . 73.15 111.38 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -65.87 -35.63 81.19 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.006 0.922 . . . . 71.24 111.029 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -72.05 -44.04 63.98 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.466 1.106 . . . . 64.23 109.178 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.89 94.63 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.76 0.663 . . . . 63.55 110.584 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.78 -56.44 21.76 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 124.347 1.029 . . . . 65.42 110.414 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -66.06 -15.97 63.52 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.607 0.763 . . . . 73.02 112.711 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.3 -52.65 6.37 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.11 0.564 . . . . 34.4 110.783 175.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.87 -18.11 41.42 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 112.997 0.74 . . . . 74.3 112.997 -173.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.53 -52.19 66.41 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.07 0.548 . . . . 75.14 111.587 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.3 -9.15 58.42 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.167 -0.47 . . . . 73.22 112.03 -174.707 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.7 -49.55 6.79 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.428 0.691 . . . . 75.04 111.02 175.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.4 p -94.73 -57.28 2.51 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.845 0.858 . . . . 74.21 112.134 -171.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -64.79 127.49 31.76 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.622 0.769 . . . . 71.13 112.167 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -79.68 -6.87 58.06 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.846 1.259 . . . . 72.45 111.334 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.24 -5.2 34.22 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.848 0.859 . . . . 63.12 112.245 170.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.509 ' HA ' ' HZ ' ' A' ' 165' ' ' PHE . 43.5 t -156.95 80.72 3.46 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 107.925 -1.139 . . . . 73.13 107.925 172.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.03 126.35 5.02 Favored 'Trans proline' 0 C--N 1.366 1.5 0 C-N-CA 121.794 1.662 . . . . 73.22 112.017 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.55 HD11 HD23 ' A' ' 30' ' ' LEU . 44.0 mt -68.9 135.36 89.81 Favored Pre-proline 0 CA--C 1.559 1.301 0 N-CA-C 108.454 -0.943 . . . . 65.51 108.454 170.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -46.39 131.42 15.09 Favored 'Trans proline' 0 C--N 1.385 2.47 0 C-N-CA 123.632 2.888 . . . . 62.52 112.52 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -53.38 -30.41 52.64 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 124.822 3.681 . . . . 73.03 116.38 -162.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.52 -41.56 65.76 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.042 0.448 . . . . 53.55 110.899 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.49 -38.19 62.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.189 0.996 . . . . 64.51 109.13 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -71.96 -22.93 61.38 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.899 -1.046 . . . . 73.45 110.646 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.73 -39.81 90.12 Favored Glycine 0 C--N 1.346 1.114 0 N-CA-C 111.625 -0.59 . . . . 72.22 111.625 172.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.19 11.64 13.58 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.992 0.917 . . . . 74.25 113.043 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -80.33 131.35 35.62 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.962 0.41 . . . . 74.42 110.805 -173.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -127.32 -39.0 1.91 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.54 1.136 . . . . 74.14 108.932 166.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.22 146.34 4.64 Favored Glycine 0 C--N 1.343 0.947 0 CA-C-O 119.347 -0.696 . . . . 53.13 111.536 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 30' ' ' LEU . 2.4 mm? -70.79 146.23 49.88 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.99 0.516 . . . . 74.01 110.236 -175.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -72.48 115.87 12.26 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.042 -0.725 . . . . 74.0 109.042 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -91.47 138.9 31.21 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.511 -0.768 . . . . 65.32 109.848 -172.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -86.25 158.36 19.73 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.016 0.926 . . . . 72.2 109.742 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.81 162.83 28.48 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.377 0.671 . . . . 75.41 110.841 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.538 HD12 HG21 ' A' ' 19' ' ' ILE . 23.3 mm -86.38 113.39 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.88 -0.785 . . . . 75.31 108.88 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -93.18 95.05 9.15 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 123.692 0.797 . . . . 65.24 109.561 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.87 -9.96 59.65 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.136 -0.938 . . . . 52.43 111.009 173.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.8 m -66.69 -51.73 52.79 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.741 0.816 . . . . 73.34 111.17 172.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.406 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 77.9 m-85 -92.72 31.46 1.37 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.918 0.887 . . . . 73.51 113.276 -171.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 6.2 ptm180 -99.92 100.2 11.08 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.483 0.659 . . . . 74.44 109.308 173.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.4 m -101.46 173.47 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 121.739 -0.601 . . . . 53.33 110.003 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.94 120.93 36.9 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.026 -1.101 . . . . 65.02 108.026 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.59 141.23 38.2 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.629 0.772 . . . . 44.12 109.624 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -74.25 113.08 11.04 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.119 -0.697 . . . . 63.33 109.119 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -74.15 119.92 19.02 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 123.591 0.756 . . . . 72.24 109.653 -177.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -117.0 114.52 39.07 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 107.087 -1.449 . . . . 51.01 107.087 169.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -70.03 157.29 60.36 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 122.021 1.814 . . . . 74.3 110.811 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.04 110.38 2.13 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.118 -0.697 . . . . 75.03 109.118 170.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -51.28 -36.35 41.87 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.493 1.117 . . . . 74.53 111.436 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -156.69 104.62 1.97 Allowed Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 107.906 -1.146 . . . . 65.44 107.906 169.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.33 141.59 93.18 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 123.396 2.731 . . . . 64.24 114.099 -174.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -136.0 161.8 34.65 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.966 1.307 . . . . 75.32 110.074 176.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.47 135.86 37.77 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.634 0.774 . . . . 72.34 110.279 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.1 m -129.12 150.91 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.746 0.818 . . . . 41.34 109.242 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -102.6 109.6 21.27 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.84 -0.8 . . . . 73.22 108.84 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 85' ' ' TYR . 2.4 mm? -93.81 122.22 36.06 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 107.344 -1.354 . . . . 62.44 107.344 177.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.458 ' HA ' ' HB3' ' A' ' 82' ' ' PRO . 36.5 mt-10 -66.28 147.94 52.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.87 0.468 . . . . 73.44 109.8 -176.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.448 ' HB ' ' HB2' ' A' ' 166' ' ' SER . 52.7 p -121.45 156.2 33.24 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.113 0.482 . . . . 74.23 110.711 -174.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.8 p -77.25 -39.11 49.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.644 1.178 . . . . 61.25 111.139 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -83.29 -16.91 44.42 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.17 0.988 . . . . 74.2 112.207 -170.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.3 -125.7 1.35 Allowed Glycine 0 C--N 1.359 1.808 0 CA-C-O 118.904 -0.942 . . . . 72.01 113.963 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.39 146.11 44.3 Favored 'Trans proline' 0 C--N 1.382 2.338 0 C-N-CA 123.705 2.937 . . . . 74.52 113.193 -175.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.458 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . 28.8 Cg_endo -61.0 160.68 24.89 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 123.044 2.496 . . . . 74.54 113.208 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.68 131.02 55.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.165 0.986 . . . . 71.43 110.265 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -82.3 124.22 29.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.434 0.694 . . . . 54.02 109.533 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.562 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 46.2 m-85 -127.28 140.68 52.05 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.705 -1.22 . . . . 64.22 107.705 175.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.3 m -91.9 135.56 33.84 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 108.844 -0.798 . . . . 75.14 108.844 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -72.95 112.09 8.66 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.537 -0.542 . . . . 71.31 109.537 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.532 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.96 -44.34 15.42 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 123.934 0.893 . . . . 72.23 110.737 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -161.48 175.96 11.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 114.79 -1.095 . . . . 73.11 110.439 -174.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 36.4 t -136.64 129.22 45.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 125.542 1.537 . . . . 74.05 107.197 170.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 101' ' ' THR . 2.4 mm? -99.61 121.56 41.38 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.813 0.845 . . . . 55.14 109.662 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.21 124.09 7.16 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 111.303 -0.719 . . . . 42.41 111.303 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.403 ' HE2' HD12 ' A' ' 95' ' ' LEU . 47.6 p90 -152.15 175.0 13.04 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 117.257 0.528 . . . . 71.14 109.753 -174.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -110.31 152.89 25.63 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 107.99 -1.115 . . . . 74.02 107.99 171.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.481 HD13 HG11 ' A' ' 176' ' ' VAL . 1.6 tt -160.21 130.35 5.37 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 106.789 -1.56 . . . . 74.33 106.789 -175.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.99 -103.63 1.5 Allowed Glycine 0 C--N 1.347 1.167 0 N-CA-C 109.725 -1.35 . . . . 73.22 109.725 -173.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -136.62 16.75 3.12 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.902 0.881 . . . . 71.2 109.283 169.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.6 m -128.8 147.09 50.77 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.131 0.572 . . . . 33.31 111.405 -170.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -86.04 136.68 33.14 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.451 -0.795 . . . . 74.12 109.369 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -140.59 149.49 42.43 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 121.521 0.677 . . . . 70.41 110.13 173.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.87 125.16 46.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 113.892 -1.504 . . . . 73.24 107.954 175.746 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 66.1 mt -109.39 132.96 53.64 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.52 -0.918 . . . . 53.21 108.52 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.5 m -85.59 129.78 34.74 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 109.725 -0.472 . . . . 71.43 109.725 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.08 124.94 44.45 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.985 1.314 . . . . 24.25 108.802 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.562 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 55.6 m-85 -102.22 168.56 9.28 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.925 0.89 . . . . 75.41 111.326 -176.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.532 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 49.7 ttm-85 -120.48 113.79 20.83 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.882 1.273 . . . . 73.15 107.692 -170.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 60.4 t -92.46 154.51 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.722 1.209 . . . . 75.41 109.324 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.98 101.65 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 121.752 0.787 . . . . 74.34 111.3 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 70.57 29.83 69.36 Favored Glycine 0 CA--C 1.538 1.501 0 CA-C-N 115.005 -0.998 . . . . 34.21 113.706 174.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.552 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -67.28 172.93 4.28 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.862 0.865 . . . . 72.4 112.233 -172.745 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.3 m -118.36 -36.35 3.56 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.706 0.802 . . . . 65.12 109.2 167.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.1 m -111.85 142.91 43.63 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.09 -0.959 . . . . 52.42 110.075 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.11 148.29 28.61 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.46 1.104 . . . . 53.32 109.34 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -100.29 114.69 28.36 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.796 0.838 . . . . 72.34 109.842 -172.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 88.1 t -110.23 94.8 19.35 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 109.211 -0.662 . . . . 65.25 109.211 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -84.96 111.58 1.41 Allowed 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.24 1.96 . . . . 73.45 109.547 170.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.543 ' HA ' ' HB3' ' A' ' 174' ' ' ASN . 16.7 p90 -129.65 176.15 8.23 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.188 0.995 . . . . 72.33 109.281 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.526 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.2 p -135.73 161.78 34.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.181 0.593 . . . . 75.21 109.992 175.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.12 -178.77 4.78 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.251 -1.341 . . . . 73.25 109.536 -169.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.74 -33.72 66.58 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 119.231 -0.414 . . . . 70.01 110.772 165.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 54.1 p -60.73 -46.11 91.66 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.166 0.986 . . . . 72.12 111.141 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.571 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 66.7 p -64.31 -45.18 89.06 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.786 -1.097 . . . . 72.32 110.15 177.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.2 -30.2 70.61 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.229 1.012 . . . . 70.2 112.058 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -78.07 -1.52 32.76 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.926 0.89 . . . . 54.4 111.748 174.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.6 73.44 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 123.429 0.538 . . . . 44.44 114.203 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -84.88 -29.12 25.49 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 121.525 0.678 . . . . 70.4 110.315 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.9 p -130.87 173.55 10.85 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 125.633 1.573 . . . . 53.45 109.403 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -64.28 104.32 0.74 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.006 0.523 . . . . 73.34 112.042 -166.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.571 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 15.5 pt-20 -63.94 -27.87 69.44 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.467 1.107 . . . . 74.45 113.343 -169.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -82.19 -5.95 58.85 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.476 0.711 . . . . 54.11 112.698 -172.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.63 150.36 5.22 Favored Glycine 0 C--N 1.352 1.448 0 C-N-CA 121.75 -0.262 . . . . 64.35 113.346 173.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 117' ' ' PHE . 4.5 ptm180 -128.87 138.81 52.24 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.42 -1.326 . . . . 75.21 107.42 172.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.09 155.36 17.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.7 0.8 . . . . 64.01 110.729 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.05 131.82 39.28 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 107.408 -1.33 . . . . 73.33 107.408 168.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -92.77 112.81 24.89 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 108.012 -1.107 . . . . 75.45 108.012 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.0 t -116.36 112.76 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.052 -0.722 . . . . 74.25 109.052 -173.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -85.02 125.28 70.91 Favored Pre-proline 0 CA--C 1.543 0.678 0 N-CA-C 108.4 -0.963 . . . . 60.21 108.4 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -60.33 -33.55 94.33 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.941 2.427 . . . . 70.04 112.588 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 48.86 40.0 15.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.778 1.231 . . . . 71.32 112.818 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.93 37.55 53.42 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 115.107 -0.951 . . . . 63.22 114.842 -176.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -81.19 156.52 25.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.994 0.517 . . . . 43.33 111.244 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -121.82 175.45 6.27 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.758 1.223 . . . . 73.24 109.587 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -55.13 112.58 3.0 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 124.263 0.977 . . . . 64.01 113.73 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.03 0.59 58.62 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-O 119.504 -0.609 . . . . 64.43 114.108 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -79.55 -175.67 4.9 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 108.132 -1.062 . . . . 71.14 108.132 164.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -139.74 155.86 47.1 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.926 0.87 . . . . 73.42 111.955 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.8 m -132.16 162.42 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 125.684 1.594 . . . . 75.45 107.71 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.55 121.35 28.96 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 122.586 0.355 . . . . 70.04 110.359 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.3 mt -102.97 83.73 2.27 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 107.971 -1.122 . . . . 64.14 107.971 168.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.543 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 7.5 m-20 -79.42 99.1 7.04 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.487 -1.301 . . . . 73.35 107.487 174.137 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.406 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 25.6 m-85 -66.06 -16.8 64.24 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 123.683 0.793 . . . . 74.31 112.736 -176.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -56.01 -31.45 63.09 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.791 0.837 . . . . 73.41 110.989 170.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' A' ' 150' ' ' ASP . 3.5 mm? -92.16 19.9 6.46 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.377 1.071 . . . . 55.42 111.628 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.85 107.36 1.8 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 109.156 -0.683 . . . . 61.0 109.156 165.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -105.74 132.11 52.26 Favored 'General case' 0 C--O 1.212 -0.906 0 N-CA-C 108.206 -1.035 . . . . 71.44 108.206 -178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -97.67 146.68 31.84 Favored Pre-proline 0 N--CA 1.481 1.1 0 N-CA-C 108.249 -1.019 . . . . 75.31 108.249 175.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' PRO . . . . . 0.541 ' HG2' ' SG ' ' A' ' 159' ' ' CYS . 27.2 Cg_endo -59.08 168.0 5.11 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 123.135 2.557 . . . . 62.24 113.173 -176.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.427 ' CD1' HD12 ' A' ' 30' ' ' LEU . 31.9 m-85 -66.7 -7.51 21.36 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.489 0.922 . . . . 65.22 113.489 -174.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' CYS . . . . . 0.541 ' SG ' ' HG2' ' A' ' 157' ' ' PRO . 10.4 p -72.37 -29.71 64.03 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.597 0.759 . . . . 70.44 110.918 172.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.24 61.05 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.553 0.741 . . . . 60.44 110.651 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -86.42 2.28 48.27 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.412 1.085 . . . . 74.2 110.88 174.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 101.54 -7.69 56.14 Favored Glycine 0 C--N 1.355 1.63 0 N-CA-C 114.645 0.618 . . . . 44.25 114.645 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -74.81 159.58 52.23 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-N 117.646 0.723 . . . . 61.11 113.283 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 49.5 p -83.98 70.28 10.43 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.457 0.646 . . . . 73.14 110.788 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.509 ' HZ ' ' HA ' ' A' ' 36' ' ' SER . 83.0 m-85 -123.47 164.48 18.84 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.468 0.707 . . . . 74.1 112.192 -175.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.448 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 32.7 p -99.91 130.39 46.09 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.515 -1.22 . . . . 74.51 110.586 -175.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 77' ' ' THR . 50.9 t -97.06 131.78 43.51 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.211 -0.663 . . . . 74.22 109.211 173.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.29 101.34 4.66 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.253 -1.017 . . . . 75.35 108.253 170.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.33 134.07 93.21 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 123.509 0.724 . . . . 70.1 110.119 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.526 ' HG3' HG23 ' A' ' 118' ' ' THR . 58.0 Cg_endo -68.23 145.06 65.01 Favored 'Trans proline' 0 C--N 1.369 1.637 0 C-N-CA 122.865 2.377 . . . . 73.42 113.066 -171.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -52.55 151.19 19.31 Favored 'Trans proline' 0 C--N 1.372 1.788 0 C-N-CA 122.95 2.434 . . . . 74.32 112.04 163.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -41.02 -45.24 2.58 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.313 1.227 . . . . 72.44 114.313 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -86.5 0.59 53.93 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.591 0.756 . . . . 75.55 111.915 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.543 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . 3.0 m-20 -92.62 -8.31 44.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.089 -0.505 . . . . 63.3 110.698 174.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -80.68 103.02 10.25 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 108.313 -0.995 . . . . 74.41 108.313 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.481 HG11 HD13 ' A' ' 95' ' ' LEU . 47.2 t -85.45 124.37 71.65 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 123.67 0.788 . . . . 73.43 109.295 -177.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.62 50.77 3.52 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 123.92 3.08 . . . . 75.1 112.022 175.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -146.69 149.47 33.5 Favored 'General case' 0 C--O 1.247 0.966 0 C-N-CA 123.592 0.757 . . . . 64.33 109.71 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -96.97 100.35 11.86 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.291 -0.868 . . . . 74.33 110.241 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.5 mp -102.53 91.14 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 106.093 -1.818 . . . . 64.45 106.093 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 12.5 p -80.99 73.13 8.04 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.368 -0.833 . . . . 74.1 108.93 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.709 0 C-N-CA 124.947 1.299 . . . . 72.21 108.159 177.89 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.7 mtp . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 109.8 -0.445 . . . . 73.22 109.8 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.413 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 36.6 t -118.81 -53.62 0.04 OUTLIER Pre-proline 0 CA--C 1.56 1.335 0 CA-C-O 118.505 -0.76 . . . . 42.23 110.381 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 2' ' ' SER . 88.7 Cg_endo -88.91 148.69 5.79 Favored 'Trans proline' 0 C--N 1.39 2.716 0 C-N-CA 121.511 1.474 . . . . 73.14 110.631 164.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.9 mt -66.76 124.84 89.57 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 109.588 -0.523 . . . . 72.12 109.588 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HG2' ' HB2' ' A' ' 141' ' ' ALA . 8.1 Cg_exo -56.96 125.84 20.3 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 123.085 2.523 . . . . 75.45 111.208 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.454 ' H ' ' HD2' ' A' ' 7' ' ' PRO . 61.8 mt -164.41 -47.75 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 125.917 1.687 . . . . 72.24 108.395 -168.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.454 ' HD2' ' H ' ' A' ' 6' ' ' LEU . 89.4 Cg_endo -79.82 30.42 0.49 Allowed 'Trans proline' 0 C--N 1.397 3.124 0 C-N-CA 122.168 1.912 . . . . 74.3 112.16 168.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.49 HG21 ' H ' ' A' ' 148' ' ' ALA . 25.3 m -61.53 -29.26 45.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.354 1.061 . . . . 75.03 110.77 168.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -84.17 25.92 0.8 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 124.109 0.964 . . . . 73.42 111.526 171.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 26.7 -104.47 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.511 1.524 . . . . 54.54 112.921 -164.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 14' ' ' ALA . 7.6 t -120.38 155.54 33.21 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 105.332 -2.099 . . . . 73.03 105.332 163.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -56.28 -25.79 49.56 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 119.276 0.944 . . . . 75.02 113.187 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.64 -51.26 69.2 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.574 0.75 . . . . 72.44 109.826 172.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . . . -79.42 -18.48 52.13 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.034 -0.985 . . . . 64.1 112.325 -177.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.471 ' O ' HG13 ' A' ' 19' ' ' ILE . 25.8 t90 -75.14 -48.91 21.39 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.581 -0.896 . . . . 74.24 108.581 174.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -60.23 -39.45 86.72 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.598 -0.728 . . . . 70.15 110.135 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' A' ' 14' ' ' ALA . . . -64.54 -39.18 93.3 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.548 0.739 . . . . 72.33 112.181 174.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.55 -54.07 46.14 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.159 0.584 . . . . 75.04 109.491 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.551 HG12 HD11 ' A' ' 153' ' ' LEU . 64.6 mt -63.93 -46.17 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.204 1.002 . . . . 62.41 111.688 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.87 95.68 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.392 0.677 . . . . 64.33 110.761 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.16 -33.17 69.78 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.256 -0.429 . . . . 62.24 111.96 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.25 -36.69 58.36 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.218 0.607 . . . . 65.1 109.893 -175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.478 HH11 ' HB2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -78.37 -31.26 48.38 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.026 -0.533 . . . . 74.34 109.972 176.532 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.0 82.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.961 0.504 . . . . 42.31 110.499 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.73 -54.86 36.85 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.864 -1.062 . . . . 73.02 110.377 171.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -66.45 -15.42 63.32 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.479 0.712 . . . . 75.23 112.22 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.623 ' HA ' HD23 ' A' ' 49' ' ' LEU . 24.4 t70 -80.91 -51.37 8.64 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.179 0.592 . . . . 74.04 111.018 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -83.81 -25.86 30.04 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 113.376 0.88 . . . . 72.31 113.376 -175.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.81 -42.4 89.05 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.368 0.604 . . . . 74.22 112.059 -170.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.628 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -92.4 -13.08 30.62 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.249 0.833 . . . . 61.2 113.249 -178.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.7 -44.81 8.79 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.354 0.661 . . . . 71.45 111.331 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.0 p -99.08 -57.86 2.07 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.338 1.055 . . . . 53.34 111.024 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -70.94 141.06 51.1 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.604 0.762 . . . . 71.25 111.302 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.9 -10.94 58.58 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.243 1.017 . . . . 65.13 112.405 -171.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -65.87 -24.88 66.96 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.013 0.925 . . . . 74.23 112.444 -173.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -146.38 79.52 10.54 Favored Pre-proline 0 C--O 1.212 -0.899 0 N-CA-C 108.429 -0.952 . . . . 74.42 108.429 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.21 127.45 8.36 Favored 'Trans proline' 0 C--N 1.362 1.264 0 C-N-CA 122.078 1.852 . . . . 74.24 111.811 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.628 HG13 ' HB2' ' A' ' 30' ' ' LEU . 59.6 mt -68.93 135.0 89.75 Favored Pre-proline 0 CA--C 1.554 1.127 0 N-CA-C 107.686 -1.228 . . . . 63.54 107.686 168.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -45.79 129.93 12.26 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 123.71 2.94 . . . . 72.12 112.154 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -48.01 -30.42 13.9 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 124.312 3.341 . . . . 62.25 114.768 -168.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.47 -50.25 68.19 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.76 0.424 . . . . 72.02 111.541 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.81 -35.82 50.94 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.663 0.785 . . . . 64.24 110.364 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -63.86 -32.21 73.65 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.059 0.944 . . . . 74.44 110.982 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.74 -36.2 86.89 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 116.228 -0.442 . . . . 32.31 112.435 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.4 14.52 11.05 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.669 0.788 . . . . 74.04 112.399 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -68.0 110.18 3.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.064 0.546 . . . . 74.11 110.682 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -102.72 -33.33 9.45 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.657 0.783 . . . . 74.4 109.881 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.27 144.28 3.9 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-O 119.436 -0.647 . . . . 62.32 111.971 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' A' ' 27' ' ' ASP . 3.7 mm? -66.62 172.24 4.37 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.78 0.832 . . . . 63.11 112.688 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.456 ' HB2' ' HG3' ' A' ' 184' ' ' GLU . 0.0 OUTLIER -75.12 134.45 41.28 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.668 -1.151 . . . . 75.42 110.794 -173.304 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.478 ' HB2' HH11 ' A' ' 23' ' ' ARG . 89.9 t80 -124.31 119.64 29.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.37 -0.974 . . . . 70.03 108.37 173.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.401 ' HE1' ' HB3' ' A' ' 50' ' ' ARG . 1.4 m-85 -99.58 154.81 17.97 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 107.807 -1.183 . . . . 62.33 107.807 174.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -67.46 142.39 56.65 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.048 -0.723 . . . . 73.44 109.048 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.81 111.36 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.278 0.986 . . . . 74.3 109.569 -172.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -100.68 105.03 16.35 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 109.511 -0.551 . . . . 64.34 109.511 -166.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.26 57.85 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.036 -0.983 . . . . 71.34 111.401 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.4 t -74.18 -33.88 63.61 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.197 0.599 . . . . 64.01 110.705 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.467 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 30.2 m-85 -88.41 6.5 37.19 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.308 0.643 . . . . 74.02 111.107 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.543 ' HG3' ' HB3' ' A' ' 150' ' ' ASP . 48.0 ttp180 -98.6 93.16 5.97 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.899 -1.519 . . . . 72.14 106.899 169.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.5 m -99.3 155.06 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 108.877 -0.786 . . . . 63.51 108.877 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.14 118.89 31.74 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.137 -1.06 . . . . 73.05 108.137 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -108.41 131.31 54.9 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.621 0.768 . . . . 63.04 110.077 -172.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.01 107.34 5.31 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.49 -0.93 . . . . 64.11 108.49 -177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -76.95 126.2 30.57 Favored 'General case' 0 C--O 1.249 1.074 0 C-N-CA 123.496 0.718 . . . . 74.35 109.747 -173.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -131.48 106.8 14.46 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 108.165 -1.05 . . . . 61.53 108.165 171.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.35 151.25 65.58 Favored 'Trans proline' 0 C--N 1.366 1.453 0 C-N-CA 122.052 1.835 . . . . 75.54 110.524 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.88 97.26 1.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.375 -0.972 . . . . 53.04 108.375 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -54.48 -28.94 48.23 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.265 1.426 . . . . 65.3 111.541 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -125.52 83.91 61.0 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.509 1.124 . . . . 74.13 109.081 171.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 127.08 9.29 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.812 2.342 . . . . 74.11 111.982 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.551 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 13.4 pt-20 -136.92 157.74 46.05 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.867 0.365 . . . . 71.21 110.618 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.29 115.18 21.23 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.901 0.88 . . . . 71.52 109.937 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 15.1 m -106.41 155.58 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 108.523 -0.917 . . . . 74.42 108.523 175.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -97.93 116.71 30.69 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.502 -0.925 . . . . 74.41 108.502 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.408 HD23 ' HD1' ' A' ' 85' ' ' TYR . 2.7 mm? -101.29 134.06 44.93 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 107.348 -1.353 . . . . 61.23 107.348 171.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB2' HD12 ' A' ' 169' ' ' LEU . 38.0 mt-10 -64.72 157.88 26.21 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 109.934 -0.395 . . . . 64.0 109.934 178.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 68.0 p -139.3 150.79 45.84 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.012 -0.736 . . . . 71.4 109.012 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.438 HG23 ' SG ' ' A' ' 167' ' ' CYS . 33.9 p -77.76 -18.04 56.9 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.0 0.52 . . . . 40.32 109.845 172.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -71.9 -34.06 68.83 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.549 1.14 . . . . 55.41 112.528 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.04 -121.36 1.15 Allowed Glycine 0 C--N 1.342 0.877 0 CA-C-O 118.296 -1.28 . . . . 72.53 111.482 -175.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.09 144.25 80.64 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.037 2.491 . . . . 53.24 112.917 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -64.63 149.98 88.95 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.412 2.074 . . . . 70.44 112.526 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.65 120.98 39.01 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.864 0.866 . . . . 63.5 109.698 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 10.0 pt-20 -79.99 127.03 31.79 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.132 0.492 . . . . 64.15 110.568 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.58 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.9 m-85 -127.69 138.86 52.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.46 -0.941 . . . . 65.32 108.46 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.9 m -84.59 137.36 33.34 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.255 -0.646 . . . . 42.12 109.255 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.551 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 19.3 mtm105 -67.68 108.46 2.93 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.48 -0.933 . . . . 55.23 108.48 175.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.44 -48.16 7.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.75 0.42 . . . . 71.22 110.656 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.46 172.34 18.39 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.62 -0.718 . . . . 42.14 110.903 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.663 HG12 HG22 ' A' ' 101' ' ' THR . 23.5 t -136.49 125.81 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 125.229 1.412 . . . . 31.21 107.364 171.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.606 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 2.2 mm? -103.04 121.03 41.74 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.958 0.903 . . . . 70.45 110.989 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.62 113.8 4.84 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 111.242 -0.743 . . . . 44.1 111.242 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.643 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 27.8 p90 -141.43 174.28 10.7 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.124 -0.695 . . . . 74.11 109.124 -172.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 5.3 p-10 -131.25 142.8 50.2 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.19 -0.67 . . . . 70.53 109.19 175.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.9 tp -159.47 140.71 12.8 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.611 0.764 . . . . 74.52 109.197 -173.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.94 -111.71 4.41 Favored Glycine 0 C--N 1.349 1.297 0 C-N-CA 121.659 -0.305 . . . . 71.22 112.616 172.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -97.42 -21.22 17.29 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.279 0.632 . . . . 73.21 112.299 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m -135.84 150.41 49.4 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 114.155 1.169 . . . . 70.44 114.155 -163.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 26.8 t60 -86.15 130.76 34.42 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.606 -1.179 . . . . 72.13 108.066 165.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -136.59 162.04 34.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.197 0.599 . . . . 74.35 110.238 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.663 HG22 HG12 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -125.01 120.08 30.54 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 106.263 -1.754 . . . . 73.3 106.263 -177.625 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.643 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 10.3 tp -116.58 136.83 52.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.545 0.738 . . . . 61.4 109.36 -163.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.1 m -88.48 125.03 34.56 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 120.824 0.345 . . . . 71.33 110.994 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.419 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -104.02 126.4 51.11 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 124.462 1.105 . . . . 52.11 109.006 176.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.58 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 40.1 m-85 -106.09 162.63 13.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.377 0.608 . . . . 62.21 111.241 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -96.45 133.54 40.74 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.249 1.419 . . . . 73.13 107.749 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 40.4 t -105.05 123.5 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.089 -1.078 . . . . 75.33 108.089 165.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.54 116.18 1.8 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.311 1.045 . . . . 64.44 111.84 176.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.63 -18.52 54.99 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 115.397 -0.82 . . . . 72.31 112.962 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.622 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 12.5 tp10 -97.06 126.42 42.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.757 0.823 . . . . 64.54 109.676 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.6 m -76.16 -22.77 55.01 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.403 1.081 . . . . 52.4 111.646 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.9 m -88.9 136.75 32.85 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.273 0.629 . . . . 75.03 109.435 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 38.0 mt -80.58 142.29 34.22 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.987 0.915 . . . . 72.33 109.634 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.35 108.01 19.51 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.574 -1.269 . . . . 72.31 107.574 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 104' ' ' ALA . 62.2 t -101.11 102.69 21.41 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 109.108 -0.701 . . . . 73.11 109.108 175.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.556 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 28.4 Cg_endo -85.16 120.93 2.27 Favored 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.899 2.399 . . . . 74.14 109.592 169.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -147.51 166.51 27.07 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.917 0.389 . . . . 73.54 111.127 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.5 p -129.15 165.94 20.31 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.11 0.964 . . . . 74.41 108.808 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -158.27 -165.77 1.78 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.022 0.929 . . . . 73.23 109.411 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.72 -26.24 59.67 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.804 0.668 . . . . 65.35 112.804 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.497 ' HB ' ' NH2' ' A' ' 132' ' ' ARG . 4.5 m -80.0 -29.26 39.4 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.81 0.444 . . . . 63.53 110.935 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.51 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 35.6 p -75.96 -38.6 57.36 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.613 0.365 . . . . 60.54 110.077 172.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -59.76 -34.23 72.71 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.353 0.661 . . . . 64.11 110.979 170.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -75.41 -12.8 60.33 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.408 1.083 . . . . 73.13 110.97 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.84 -6.73 58.02 Favored Glycine 0 C--N 1.35 1.316 0 N-CA-C 115.958 1.143 . . . . 75.24 115.958 174.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -92.54 1.71 57.1 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 118.2 1.0 . . . . 73.31 112.273 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.2 p -127.11 164.38 21.73 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 106.687 -1.597 . . . . 73.42 106.687 155.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 130' ' ' HIS . 19.1 t80 -53.83 98.94 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.323 1.015 . . . . 75.21 111.429 -168.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.51 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 0.0 OUTLIER -62.22 -31.05 71.54 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.955 1.302 . . . . 63.21 112.425 -168.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 128' ' ' TYR . 53.3 m80 -75.72 -12.38 60.18 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 116.519 -0.31 . . . . 71.1 110.833 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 142.09 152.39 5.7 Favored Glycine 0 C--N 1.356 1.686 0 C-N-CA 122.749 0.214 . . . . 55.31 113.187 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.556 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 56.4 mtt180 -108.46 144.58 35.89 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.795 0.838 . . . . 75.2 108.761 175.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -96.15 140.4 30.92 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.442 -0.577 . . . . 60.21 109.442 166.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.1 tt -123.23 131.73 53.78 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.874 -1.158 . . . . 65.11 107.874 171.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -94.02 100.11 12.3 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.261 -1.014 . . . . 73.13 108.261 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 56.6 t -107.34 122.65 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 122.933 0.493 . . . . 61.33 109.781 -173.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.94 118.89 74.33 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 109.262 -0.644 . . . . 44.13 109.262 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -67.9 -32.87 28.02 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.379 2.053 . . . . 73.11 112.09 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 54.05 33.47 17.71 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.344 1.058 . . . . 72.25 112.106 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.39 39.58 52.32 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 115.44 -0.8 . . . . 63.23 114.76 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.448 ' HB2' ' HG2' ' A' ' 5' ' ' PRO . . . -76.08 167.63 21.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.796 0.438 . . . . 72.23 111.416 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.87 173.35 11.63 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.762 -0.829 . . . . 75.25 108.762 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -55.93 109.59 1.53 Allowed Glycine 0 C--N 1.352 1.432 0 O-C-N 123.685 0.616 . . . . 52.02 113.457 -175.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.84 -5.45 27.52 Favored Glycine 0 N--CA 1.471 1.008 0 CA-C-O 119.557 -0.579 . . . . 63.35 113.779 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -87.37 -171.44 3.47 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.946 -0.761 . . . . 51.23 108.946 171.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -142.85 158.23 43.83 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.23 0.538 . . . . 61.31 111.928 173.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.3 m -139.69 154.09 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.773 1.229 . . . . 73.22 108.536 176.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.49 ' H ' HG21 ' A' ' 8' ' ' VAL . . . -79.06 118.93 21.5 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.573 0.225 . . . . 44.01 110.722 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.7 mt -93.5 86.63 5.28 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 108.002 -1.11 . . . . 61.32 108.002 167.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.543 ' HB3' ' HG3' ' A' ' 59' ' ' ARG . 0.6 OUTLIER -84.91 95.95 9.19 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.059 -0.973 . . . . 53.25 108.89 173.527 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.592 ' HB3' HG21 ' A' ' 180' ' ' ILE . 22.4 m-85 -69.65 -15.91 63.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.346 1.058 . . . . 64.14 111.826 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -56.62 -27.11 57.56 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.25 0.62 . . . . 73.32 110.138 169.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.551 HD11 HG12 ' A' ' 19' ' ' ILE . 2.9 mm? -101.41 17.95 21.36 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.47 1.108 . . . . 75.41 111.815 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -73.28 104.98 4.49 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.727 -1.212 . . . . 60.44 107.727 165.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -98.93 176.13 5.7 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 122.287 1.041 . . . . 73.45 110.928 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -113.24 139.26 22.91 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 113.731 -1.577 . . . . 72.45 109.281 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.58 150.24 4.1 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.934 2.423 . . . . 74.11 113.173 168.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -66.76 -4.32 8.78 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.517 0.727 . . . . 75.02 112.893 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 163' ' ' GLY . 11.3 m -65.74 -29.14 69.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.989 0.916 . . . . 74.14 111.857 172.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.421 ' HB2' ' CD2' ' A' ' 128' ' ' TYR . . . -65.87 -21.85 66.49 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.875 0.87 . . . . 73.14 112.063 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' TYR . . . . . 0.418 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 3.2 m-85 -84.21 -1.84 55.85 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.328 1.051 . . . . 74.23 110.835 -175.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.77 12.53 37.25 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 123.731 0.644 . . . . 31.43 112.734 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -100.11 159.97 19.37 Favored Glycine 0 C--N 1.351 1.393 0 N-CA-C 111.993 -0.443 . . . . 63.05 111.993 176.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 46.8 m -101.39 84.89 2.68 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.781 0.432 . . . . 53.5 110.429 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -113.52 178.32 4.32 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.4 0.68 . . . . 71.31 111.329 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 53.2 p -91.05 105.99 18.21 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.365 0.666 . . . . 71.32 110.931 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' CYS . . . . . 0.438 ' SG ' HG23 ' A' ' 78' ' ' THR . 24.4 p -93.42 116.07 28.61 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.823 -1.177 . . . . 44.33 107.823 174.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -71.54 93.56 1.22 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.5 -0.555 . . . . 63.43 109.5 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 76' ' ' GLU . 42.6 mt -65.42 110.27 4.15 Favored Pre-proline 0 C--O 1.242 0.67 0 C-N-CA 123.767 0.827 . . . . 72.04 108.802 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -74.65 161.25 39.93 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 122.257 1.971 . . . . 53.53 112.205 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.39 155.48 61.9 Favored 'Trans proline' 0 C--N 1.371 1.721 0 C-N-CA 122.159 1.906 . . . . 74.54 110.806 168.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.39 -15.25 47.79 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.761 0.824 . . . . 42.01 113.11 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.05 -15.17 62.02 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.126 0.97 . . . . 72.42 111.2 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -94.18 18.44 10.87 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.136 0.974 . . . . 64.14 111.361 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -94.85 123.26 38.21 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.589 -0.523 . . . . 70.23 109.589 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 177' ' ' PRO . 58.5 t -94.67 129.03 37.55 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 123.5 0.72 . . . . 64.31 109.136 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 176' ' ' VAL . 9.0 Cg_exo -74.25 56.09 3.71 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 124.023 3.149 . . . . 72.45 112.643 173.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.7 152.97 32.34 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.058 0.943 . . . . 72.54 109.222 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.06 122.01 33.34 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.02 -0.733 . . . . 72.45 109.02 170.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' ILE . . . . . 0.592 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -106.21 88.95 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 106.981 -1.489 . . . . 72.11 106.981 175.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 16.9 p -71.23 -26.14 62.79 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.356 -0.838 . . . . 73.43 112.522 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -90.11 124.54 34.89 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.302 0.572 . . . . 71.14 110.312 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 175.06 -154.83 19.26 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 107.963 -2.055 . . . . 42.04 107.963 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' GLU . . . . . 0.456 ' HG3' ' HB2' ' A' ' 50' ' ' ARG . 16.6 tt0 -99.38 126.43 45.27 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 107.686 -1.228 . . . . 71.22 107.686 155.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -76.96 151.32 35.73 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-O 121.715 0.769 . . . . 73.24 110.169 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.467 HG21 ' HB2' ' A' ' 128' ' ' TYR . 15.7 t -138.97 176.04 6.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 105.979 -1.86 . . . . 73.32 105.979 -175.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' ASP . . . . . 0.561 ' HB2' HD23 ' A' ' 190' ' ' LEU . 15.8 m-20 -146.51 139.75 25.68 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.773 -0.579 . . . . 72.4 109.463 171.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -45.63 -23.58 0.26 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 124.532 1.145 . . . . 74.52 113.341 163.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.59 -53.41 56.63 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.486 1.114 . . . . 74.04 110.546 170.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.561 HD23 ' HB2' ' A' ' 187' ' ' ASP . 3.9 mm? -75.77 -65.66 0.88 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.979 0.912 . . . . 71.35 111.292 -177.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 CA--C 1.563 1.457 0 C-N-CA 124.747 1.219 . . . . 75.02 112.541 -173.147 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptp . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 121.089 0.471 . . . . 60.33 110.424 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 t -57.35 -44.54 99.68 Favored Pre-proline 0 CA--C 1.567 1.622 0 CA-C-O 118.943 -0.551 . . . . 73.12 110.886 176.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -98.7 173.88 0.48 Allowed 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 122.556 2.171 . . . . 65.32 111.452 158.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.0 tt -69.39 141.63 91.24 Favored Pre-proline 0 CA--C 1.566 1.595 0 N-CA-C 107.582 -1.266 . . . . 74.33 107.582 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 19.1 Cg_endo -65.05 125.42 14.63 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 121.366 1.378 . . . . 43.42 111.813 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 171.12 -49.41 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 125.637 1.575 . . . . 75.24 108.485 -169.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.24 21.16 0.62 Allowed 'Trans proline' 0 C--N 1.397 3.126 0 C-N-CA 122.803 2.335 . . . . 74.02 112.613 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.1 m -65.86 -27.31 40.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.451 1.1 . . . . 64.44 109.278 172.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 t -80.57 83.0 6.45 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 115.508 -0.769 . . . . 74.33 109.165 166.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -37.65 153.51 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 125.272 1.429 . . . . 42.11 113.427 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -54.64 139.42 38.67 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.729 0.812 . . . . 73.44 110.37 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -37.73 -47.53 0.99 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.432 1.641 . . . . 70.41 115.432 -165.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.87 -52.51 59.69 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.278 0.631 . . . . 72.35 111.411 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -74.46 -25.0 59.13 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.141 0.576 . . . . 53.14 111.242 -176.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.451 ' O ' HG13 ' A' ' 19' ' ' ILE . 21.0 t90 -64.35 -54.82 27.06 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.799 1.239 . . . . 74.15 109.388 173.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -55.61 -38.56 69.61 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 115.027 -0.988 . . . . 62.43 109.841 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.75 97.42 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.847 -0.597 . . . . 74.54 112.14 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 26.4 mmt180 -59.87 -48.75 80.43 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.639 0.375 . . . . 74.43 110.073 175.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 15' ' ' TRP . 23.7 mt -62.7 -43.53 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 115.64 -0.709 . . . . 74.31 110.643 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.24 89.76 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 114.76 -1.109 . . . . 61.43 110.571 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.96 73.76 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.498 0.719 . . . . 63.21 111.448 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -59.43 -53.62 56.12 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.915 0.886 . . . . 74.21 109.819 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -65.03 -41.57 95.14 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-N 114.834 -1.075 . . . . 73.14 111.111 -178.45 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.97 91.9 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.349 0.522 . . . . 52.13 111.402 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.72 -48.73 80.47 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.802 0.689 . . . . 74.42 110.557 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 40.2 mmtm -72.94 -20.59 61.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.562 -0.29 . . . . 65.04 111.408 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' HA ' HD23 ' A' ' 49' ' ' LEU . 8.1 t70 -70.84 -45.14 65.07 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.547 -0.908 . . . . 62.25 108.547 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.61 -18.55 47.85 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.448 -0.796 . . . . 72.54 111.7 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.52 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 37.7 t80 -60.56 -67.37 0.4 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.895 0.478 . . . . 74.13 110.867 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -71.17 -3.99 23.06 Favored 'General case' 0 CA--C 1.565 1.558 0 N-CA-C 113.264 0.838 . . . . 63.01 113.264 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.45 -47.63 5.6 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.68 0.792 . . . . 72.45 112.302 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 t -138.04 45.9 2.09 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-O 122.553 1.168 . . . . 42.35 110.669 -173.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.52 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 80.6 m80 -149.07 134.71 18.69 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 113.947 -1.479 . . . . 63.41 109.661 173.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.05 -36.2 72.43 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.331 1.452 . . . . 75.11 111.881 -175.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -61.6 -25.58 67.43 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.904 1.076 . . . . 72.14 113.904 -167.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 59.5 m -144.74 106.33 4.61 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 107.217 -1.401 . . . . 53.24 107.217 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -90.87 124.61 0.97 Allowed 'Trans proline' 0 CA--C 1.551 1.357 0 C-N-CA 122.192 1.928 . . . . 50.31 112.797 173.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.525 HG13 ' HB2' ' A' ' 30' ' ' LEU . 40.4 mt -71.33 130.81 87.26 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 107.684 -1.228 . . . . 74.32 107.684 162.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -44.5 131.24 9.52 Favored 'Trans proline' 0 C--N 1.385 2.493 0 C-N-CA 123.52 2.813 . . . . 74.41 113.104 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -53.02 -26.84 33.68 Favored 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 124.083 3.189 . . . . 70.34 115.393 -167.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.62 94.24 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.415 0.286 . . . . 54.33 111.545 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -83.46 -41.7 17.75 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.391 0.676 . . . . 63.33 110.785 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -62.83 -30.6 71.61 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.55 0.74 . . . . 74.51 111.473 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.16 -40.92 99.7 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 116.03 -0.532 . . . . 70.33 112.334 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.12 30.25 3.53 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.231 1.012 . . . . 73.3 111.095 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -74.36 117.15 15.85 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 120.952 0.406 . . . . 74.51 110.773 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -102.52 -37.21 8.09 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 108.617 -0.883 . . . . 63.21 108.617 169.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.33 175.54 33.46 Favored Glycine 0 C--O 1.241 0.584 0 CA-C-N 114.172 -1.376 . . . . 72.45 110.209 -174.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 30' ' ' LEU . 4.0 mm? -83.29 -168.03 1.93 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.38 -0.6 . . . . 71.34 109.38 167.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.21 177.47 4.62 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.902 -0.777 . . . . 70.41 108.902 -172.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.624 ' HA ' ' HA ' ' A' ' 184' ' ' GLU . 44.3 p90 -158.71 146.46 17.95 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.434 0.459 . . . . 74.55 111.747 176.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -88.05 167.77 13.39 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 108.251 -1.018 . . . . 75.12 108.251 159.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -76.0 145.03 40.55 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 109.201 -0.666 . . . . 73.11 109.201 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.5 mm -72.39 113.63 9.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 123.25 0.62 . . . . 71.41 109.402 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -123.8 123.04 39.61 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.34 0.656 . . . . 71.35 110.585 -169.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.79 -11.35 59.62 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.464 1.106 . . . . 63.32 113.697 -175.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -79.04 -29.61 43.62 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 118.547 0.612 . . . . 74.4 109.591 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 62.0 m-85 -76.36 0.61 18.9 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.985 0.514 . . . . 75.43 111.283 171.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.514 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 53.1 ttp85 -102.94 87.37 2.91 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.392 -0.966 . . . . 65.12 108.392 175.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.6 m -99.63 156.34 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 115.894 -0.594 . . . . 74.12 110.048 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.87 138.78 33.78 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.446 -0.946 . . . . 71.41 108.446 175.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -129.59 140.34 51.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 122.95 0.5 . . . . 74.23 109.825 175.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -72.98 117.82 15.17 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 107.595 -1.261 . . . . 70.32 107.595 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -80.3 110.86 16.14 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 124.215 0.947 . . . . 72.11 108.804 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -110.88 101.69 50.41 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 108.286 -1.005 . . . . 71.21 108.286 169.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.78 153.11 76.63 Favored 'Trans proline' 0 C--N 1.365 1.441 0 C-N-CA 122.683 2.255 . . . . 71.43 111.079 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.86 98.56 1.59 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.374 -0.973 . . . . 74.12 108.374 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -57.95 -29.47 65.21 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.31 1.044 . . . . 75.12 111.029 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -144.82 91.71 6.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 124.418 1.087 . . . . 73.13 108.099 171.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.53 ' HB3' ' O ' ' A' ' 87' ' ' ARG . 5.5 Cg_exo -75.66 150.89 36.0 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.43 2.753 . . . . 52.1 112.392 -175.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.22 166.64 26.41 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.798 0.839 . . . . 73.22 110.146 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.2 135.18 34.46 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 123.401 0.68 . . . . 40.31 109.318 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 35.1 m -128.08 154.98 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.789 1.236 . . . . 75.24 108.676 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -105.61 106.15 16.52 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.23 -0.656 . . . . 74.13 109.23 -173.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.461 HD23 ' HD2' ' A' ' 85' ' ' TYR . 2.8 mm? -91.19 134.8 34.25 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 107.813 -1.181 . . . . 73.44 107.813 175.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.75 153.88 35.03 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.788 0.435 . . . . 64.24 110.032 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.4 p -136.41 167.7 20.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.251 0.621 . . . . 73.1 110.464 -177.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.6 p -98.63 -31.38 11.96 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.499 1.12 . . . . 73.14 110.94 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -72.57 -32.82 66.34 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.21 0.604 . . . . 71.33 112.537 -176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.49 -120.75 0.98 Allowed Glycine 0 C--N 1.346 1.112 0 CA-C-O 118.451 -1.194 . . . . 64.43 112.397 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -56.79 137.95 83.49 Favored 'Trans proline' 0 C--N 1.384 2.447 0 C-N-CA 123.829 3.02 . . . . 51.22 112.784 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -64.14 145.08 88.68 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 123.026 2.484 . . . . 73.24 112.822 -173.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.26 111.84 19.75 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.77 0.828 . . . . 72.11 109.646 -175.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.489 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 38.5 mt-10 -88.59 118.04 27.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.283 0.633 . . . . 52.34 110.266 -178.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.461 ' HD2' HD23 ' A' ' 75' ' ' LEU . 63.5 m-85 -126.99 147.87 50.11 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.08 0.952 . . . . 74.02 109.269 -176.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.4 m -86.29 135.85 33.39 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 109.072 -0.714 . . . . 44.42 109.072 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 70' ' ' PRO . 15.5 mtm180 -74.78 115.37 14.29 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.721 -0.474 . . . . 65.22 109.721 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.55 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -83.19 -46.51 12.63 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.297 0.639 . . . . 65.34 111.378 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -159.87 175.13 13.44 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.433 -0.803 . . . . 72.34 110.562 -173.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.0 t -136.19 118.38 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 N-CA-C 107.023 -1.473 . . . . 74.45 107.023 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.407 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 2.5 mm? -101.12 134.58 43.92 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.268 0.627 . . . . 72.3 111.059 -177.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.31 114.94 3.1 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.857 -0.497 . . . . 62.04 111.857 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.533 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 19.7 p90 -134.43 150.93 50.9 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.185 0.594 . . . . 62.31 109.458 -170.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 9.3 p-10 -109.98 112.07 23.85 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.32 -0.992 . . . . 75.04 108.32 169.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tt -92.86 86.18 5.4 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 107.853 -1.166 . . . . 74.53 107.853 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.03 -73.74 2.53 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-N 113.547 -1.661 . . . . 44.42 111.455 164.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -117.47 -24.5 7.32 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.642 0.777 . . . . 63.31 111.197 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.9 m -107.17 123.15 47.85 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.349 0.26 . . . . 61.31 110.756 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 47.1 p-80 -94.89 111.31 23.11 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 108.338 -0.986 . . . . 73.23 108.338 174.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -127.16 156.72 41.35 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 123.983 0.913 . . . . 63.23 109.292 -172.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.8 m -117.41 145.43 44.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 107.909 -1.145 . . . . 55.02 107.909 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.533 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 9.3 tp -139.53 118.8 12.78 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.023 -0.732 . . . . 73.11 109.023 -167.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.9 m -83.97 126.4 32.98 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 122.703 0.401 . . . . 73.21 110.463 -172.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -105.02 127.5 52.89 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.185 0.994 . . . . 71.5 109.823 -178.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.437 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 50.5 m-85 -99.73 174.04 6.41 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.511 0.724 . . . . 73.14 110.522 177.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.55 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 37.3 ttm180 -119.84 121.95 40.24 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.176 0.991 . . . . 75.53 108.942 -173.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.6 131.27 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.042 0.937 . . . . 71.43 109.853 176.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -85.09 159.71 20.12 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.47 1.108 . . . . 65.22 110.79 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.47 -43.02 1.06 Allowed Glycine 0 N--CA 1.483 1.804 0 CA-C-N 115.426 -0.807 . . . . 70.23 112.45 -168.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.443 ' HG3' ' H ' ' A' ' 112' ' ' SER . 12.5 tp10 -77.28 160.06 29.14 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.299 1.44 . . . . 75.02 107.951 161.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.8 m -116.96 -11.43 10.8 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.289 0.635 . . . . 64.44 109.697 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.443 ' H ' ' HG3' ' A' ' 110' ' ' GLU . 37.8 m -89.62 172.63 8.81 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.065 0.946 . . . . 73.42 110.895 -176.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.421 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 21.0 mt -96.4 130.63 43.49 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 107.719 -1.215 . . . . 75.12 107.719 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.1 102.2 14.51 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.128 -1.064 . . . . 74.24 108.128 -173.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 104' ' ' ALA . 12.6 t -111.68 94.92 25.5 Favored Pre-proline 0 N--CA 1.469 0.511 0 C-N-CA 123.043 0.537 . . . . 64.34 109.578 -175.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -76.81 115.81 4.12 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.094 1.863 . . . . 72.41 110.002 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -128.05 160.27 32.48 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 121.901 0.858 . . . . 70.01 111.03 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.619 HG23 ' HG2' ' A' ' 170' ' ' PRO . 11.0 p -127.75 163.18 24.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 113.738 -1.573 . . . . 73.44 107.872 172.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 4.4 p30 -161.14 -160.22 0.72 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.551 0.532 . . . . 74.44 109.971 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.89 -35.2 78.07 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.609 0.596 . . . . 75.25 112.609 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.0 p -74.56 -12.78 60.55 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 113.065 0.765 . . . . 61.23 113.065 -171.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 69.9 p -65.7 -40.91 92.77 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 109.538 -0.542 . . . . 71.45 109.538 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -73.06 -24.1 60.64 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 114.49 -1.232 . . . . 64.3 112.261 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -92.01 -20.4 21.37 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.828 -0.434 . . . . 72.54 109.828 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.48 28.13 66.27 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-N 115.932 -0.577 . . . . 62.43 114.525 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -88.3 -20.96 24.72 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.673 0.749 . . . . 73.24 109.697 171.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.434 ' HA ' ' HB ' ' A' ' 186' ' ' VAL . 23.3 p -125.45 -177.52 3.92 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.861 1.264 . . . . 61.25 108.71 169.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -57.12 113.41 1.7 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.69 0.796 . . . . 74.13 112.867 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -57.79 -39.08 76.69 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.18 0.992 . . . . 73.32 111.088 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -70.35 -10.58 59.42 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.435 0.694 . . . . 70.24 111.698 -175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.07 174.04 26.44 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 110.47 -1.052 . . . . 64.43 110.47 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.56 157.7 44.44 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.034 -0.728 . . . . 73.2 109.034 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.567 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 91.9 m-85 -92.55 176.13 6.57 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.442 -0.577 . . . . 74.34 109.442 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.3 tt -146.7 132.92 19.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.388 -1.708 . . . . 73.21 106.388 167.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.85 110.42 22.78 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 107.482 -1.303 . . . . 62.31 107.482 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.38 126.68 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.878 0.471 . . . . 72.53 110.21 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -87.61 116.42 66.07 Favored Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 108.373 -0.973 . . . . 53.44 108.373 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -69.72 -28.28 25.63 Favored 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.224 1.949 . . . . 71.12 112.577 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.15 29.49 4.83 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.436 1.094 . . . . 62.13 112.149 -170.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 48.82 57.49 8.56 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.664 -0.698 . . . . 53.15 114.362 -166.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.01 168.92 19.15 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.478 0.311 . . . . 75.41 110.616 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -134.78 177.01 8.13 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.146 0.578 . . . . 74.24 109.652 -173.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.03 104.8 0.64 Allowed Glycine 0 C--N 1.355 1.63 0 C-N-CA 123.757 0.694 . . . . 44.34 113.528 -173.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.14 8.27 50.83 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 113.801 0.28 . . . . 65.13 113.801 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 5' ' ' PRO . 11.6 m-20 -80.98 -170.99 2.97 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.808 -0.812 . . . . 72.52 108.808 166.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -140.46 153.44 46.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.709 0.766 . . . . 73.54 111.919 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 24.4 m -134.56 161.5 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.288 1.435 . . . . 63.24 108.834 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.96 111.84 19.62 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.887 0.475 . . . . 62.31 109.984 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.97 90.46 7.89 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.379 -1.341 . . . . 71.24 107.379 168.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 51.7 t0 -101.33 119.61 39.01 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 114.613 -1.176 . . . . 71.23 109.643 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.531 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 48.5 m-85 -80.05 -16.46 55.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.064 -0.971 . . . . 72.14 112.528 -174.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.486 HD22 HD22 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -80.2 -4.55 53.53 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 119.704 1.138 . . . . 74.33 111.179 173.255 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.486 HD22 HD22 ' A' ' 152' ' ' ASN . 3.8 mm? -92.14 8.95 35.65 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.311 0.644 . . . . 72.32 110.914 165.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.05 127.46 21.55 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 122.936 0.494 . . . . 43.14 110.889 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.567 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 83.6 t80 -99.51 153.53 18.96 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 124.282 1.033 . . . . 74.23 109.665 -170.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -96.61 123.6 53.58 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.835 1.254 . . . . 63.34 111.862 -166.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' PRO . . . . . 0.535 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 61.5 Cg_endo -75.35 126.55 9.82 Favored 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 122.022 1.814 . . . . 74.51 110.94 166.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -67.85 -22.1 65.15 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.254 0.622 . . . . 75.35 111.752 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 157' ' ' PRO . 25.6 p -57.72 -37.64 73.89 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.089 0.956 . . . . 74.2 111.415 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.29 -10.62 59.55 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.344 0.658 . . . . 72.22 111.643 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -94.04 -12.18 29.12 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.636 0.774 . . . . 65.43 110.26 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 107.15 -25.99 20.29 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 119.876 -0.402 . . . . 72.52 112.459 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -60.73 113.75 5.88 Favored Glycine 0 C--N 1.358 1.781 0 N-CA-C 110.583 -1.007 . . . . 45.33 110.583 172.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.8 m -71.41 89.81 0.94 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.428 0.691 . . . . 61.53 111.49 -167.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -124.59 148.78 47.64 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.124 0.969 . . . . 71.11 111.352 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 36.2 p -73.08 121.51 20.3 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.403 -0.817 . . . . 70.53 109.556 173.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.16 126.39 52.73 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 108.134 -1.061 . . . . 74.1 108.134 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -69.99 97.66 1.18 Allowed 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.852 0.72 . . . . 62.53 109.26 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 92.8 mt -58.64 113.6 7.04 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.05 0.94 . . . . 71.44 109.6 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.619 ' HG2' HG23 ' A' ' 118' ' ' THR . 26.3 Cg_exo -66.39 132.44 29.36 Favored 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 122.627 2.218 . . . . 74.42 112.104 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -67.74 173.78 8.55 Favored 'Trans proline' 0 C--N 1.372 1.811 0 C-N-CA 122.499 2.132 . . . . 75.42 111.867 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -59.77 -28.88 67.79 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.465 0.706 . . . . 51.53 111.694 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.61 -23.15 62.51 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.719 0.808 . . . . 52.33 111.349 177.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.455 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.5 m-20 -103.86 18.92 20.96 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.828 0.451 . . . . 61.24 111.214 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -100.39 109.14 21.29 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.751 -0.463 . . . . 73.22 109.751 172.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 26.2 t -77.02 131.39 73.07 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.011 0.924 . . . . 73.21 109.442 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -80.67 41.98 1.25 Allowed 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 123.149 2.566 . . . . 65.13 112.894 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -143.54 158.53 43.58 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.636 0.775 . . . . 71.44 110.144 -175.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -86.96 106.45 17.81 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.271 0.628 . . . . 74.32 110.147 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.0 mp -96.43 91.8 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 N-CA-C 108.361 -0.977 . . . . 63.21 108.361 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 55.0 p -96.18 65.34 2.4 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.746 0.784 . . . . 62.22 109.451 171.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -151.34 121.25 7.1 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.354 -0.98 . . . . 74.13 108.354 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 171.19 -156.14 25.8 Favored Glycine 0 C--O 1.241 0.58 0 N-CA-C 109.099 -1.6 . . . . 71.24 109.099 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' GLU . . . . . 0.624 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -84.12 144.01 29.31 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 106.43 -1.693 . . . . 53.41 106.43 154.68 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -76.43 135.25 39.43 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 108.211 -1.033 . . . . 75.05 108.211 -173.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.434 ' HB ' ' HA ' ' A' ' 127' ' ' THR . 51.4 t -107.32 139.55 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.807 -0.558 . . . . 63.3 110.224 -172.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -70.5 111.87 6.35 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 123.269 0.628 . . . . 72.4 109.949 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -67.35 -0.82 3.91 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.35 1.06 . . . . 51.12 112.365 171.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -71.56 -52.21 19.38 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.754 1.221 . . . . 71.4 110.346 168.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.44 -46.28 17.82 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.358 0.663 . . . . 34.45 110.484 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 108.877 -0.786 . . . . 52.21 108.877 175.609 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.658 ' SD ' ' HA3' ' A' ' 140' ' ' GLY . 52.2 ttp . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 110.056 -0.35 . . . . 71.2 110.056 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -159.34 -51.05 0.01 OUTLIER Pre-proline 0 CA--C 1.56 1.34 0 C-N-CA 123.864 0.866 . . . . 65.31 109.362 170.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -87.73 -177.08 1.89 Allowed 'Trans proline' 0 C--N 1.39 2.75 0 C-N-CA 122.375 2.05 . . . . 62.25 110.538 160.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mt -57.69 132.36 82.51 Favored Pre-proline 0 CA--C 1.553 1.064 0 O-C-N 123.603 0.564 . . . . 73.23 110.442 171.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.97 126.59 18.35 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.552 2.168 . . . . 73.53 111.497 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.7 mt -175.15 -53.23 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 125.923 1.689 . . . . 75.03 108.017 -167.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -85.27 27.33 0.61 Allowed 'Trans proline' 0 C--N 1.4 3.274 0 C-N-CA 122.032 1.821 . . . . 64.11 111.956 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.66 -12.56 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.255 1.022 . . . . 62.31 111.896 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -71.79 -37.13 70.48 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 119.176 -0.44 . . . . 73.14 110.89 171.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.2 t0 86.08 154.3 0.08 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.761 1.225 . . . . 62.34 109.27 171.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -48.14 120.73 3.73 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.557 0.743 . . . . 75.01 110.947 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.08 -29.5 30.74 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 115.243 1.572 . . . . 55.31 115.243 -157.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -69.94 -45.12 68.15 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 123.084 0.554 . . . . 74.12 110.017 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -69.26 -36.28 76.96 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.529 -0.759 . . . . 55.33 110.857 176.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -60.23 -46.48 89.64 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.607 1.163 . . . . 72.24 110.371 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -58.96 -41.57 87.82 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.737 -1.119 . . . . 72.14 109.766 175.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.06 97.41 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 118.734 -0.651 . . . . 75.41 112.322 173.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 24.3 mmt180 -59.69 -48.26 82.38 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 118.399 0.545 . . . . 72.04 109.621 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.493 HG21 HD12 ' A' ' 54' ' ' ILE . 72.4 mt -63.85 -45.63 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 115.062 -0.972 . . . . 72.21 111.384 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.42 99.09 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.329 0.652 . . . . 74.31 111.029 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.17 77.46 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.615 0.766 . . . . 63.32 111.463 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -67.01 -41.88 85.91 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.616 0.766 . . . . 74.51 109.97 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -63.17 -47.36 82.97 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 115.257 -0.883 . . . . 71.34 109.954 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.68 79.32 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.572 0.749 . . . . 65.24 111.22 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.99 -59.23 5.75 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.029 0.932 . . . . 72.44 110.869 172.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -64.46 -18.06 64.41 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.293 0.637 . . . . 72.12 112.322 -179.392 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HA ' HD23 ' A' ' 49' ' ' LEU . 16.6 t70 -78.39 -53.44 7.27 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.84 1.256 . . . . 75.33 109.708 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.23 -17.44 59.5 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.014 -0.539 . . . . 74.13 111.352 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -48.52 -69.45 0.12 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.329 1.052 . . . . 73.15 111.724 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.679 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -59.99 -25.33 65.18 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.265 0.468 . . . . 64.51 112.265 -172.637 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.58 -54.1 6.8 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.118 0.567 . . . . 54.1 111.575 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p -88.64 -56.3 3.36 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.102 0.561 . . . . 71.33 111.393 -171.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -47.42 102.6 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.275 1.43 . . . . 64.43 111.92 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.39 -19.08 63.82 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.286 1.034 . . . . 73.45 112.536 -172.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -81.16 -5.88 58.21 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.499 0.72 . . . . 71.23 111.919 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.6 m -154.55 67.42 5.48 Favored Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 124.663 1.185 . . . . 44.44 108.118 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -85.65 137.66 5.84 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.327 2.018 . . . . 71.41 112.476 -174.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.5 tt -77.93 134.0 64.9 Favored Pre-proline 0 CA--C 1.554 1.107 0 N-CA-C 107.988 -1.116 . . . . 74.54 107.988 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -31.83 132.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.394 2.934 0 C-N-CA 124.853 3.702 . . . . 75.53 114.676 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -52.84 -24.09 22.84 Favored 'Trans proline' 0 C--N 1.384 2.445 0 C-N-CA 123.737 2.958 . . . . 62.51 114.15 -171.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.52 -49.38 66.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.208 0.603 . . . . 40.42 111.222 175.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -78.75 -34.92 45.33 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.649 0.78 . . . . 73.44 110.488 -177.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -57.79 -37.73 74.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.759 0.823 . . . . 72.03 110.846 170.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.01 -37.63 73.76 Favored Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.414 -0.812 . . . . 52.34 111.772 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.81 19.35 4.83 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.017 0.927 . . . . 73.24 112.146 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -73.12 103.54 3.9 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.233 0.54 . . . . 63.11 110.497 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -111.87 4.21 18.14 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.243 1.017 . . . . 60.24 108.951 171.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.86 147.13 12.16 Favored Glycine 0 C--N 1.342 0.882 0 N-CA-C 109.969 -1.252 . . . . 73.44 109.969 -167.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.582 HD21 HD21 ' A' ' 30' ' ' LEU . 2.5 mm? -80.43 169.74 17.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.405 0.682 . . . . 74.1 110.17 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' N ' ' HD2' ' A' ' 50' ' ' ARG . 3.4 mpt_? -91.81 141.89 28.17 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.527 -0.76 . . . . 65.22 109.518 -168.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 183' ' ' GLY . 24.7 p90 -162.59 168.77 21.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.441 0.696 . . . . 74.34 110.557 178.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -102.9 172.32 6.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.273 1.029 . . . . 62.24 109.391 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -74.31 160.65 30.8 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.865 0.466 . . . . 71.44 110.2 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.493 HD12 HG21 ' A' ' 19' ' ' ILE . 11.5 mm -71.48 116.07 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 123.536 0.522 . . . . 75.12 109.846 -174.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -112.17 115.39 28.76 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.274 0.63 . . . . 72.14 109.837 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.72 -17.21 61.64 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.444 0.697 . . . . 63.12 112.363 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.9 m -81.48 -16.73 51.02 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.439 0.296 . . . . 70.42 110.826 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.89 -9.8 59.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.703 0.401 . . . . 71.3 111.278 169.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 11.8 ttm180 -89.69 95.29 10.19 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.089 -1.078 . . . . 74.24 108.089 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.2 m -100.22 147.17 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.279 -0.637 . . . . 73.55 109.279 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.95 112.95 21.67 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.21 -1.033 . . . . 72.4 108.21 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -105.93 129.43 54.08 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.138 -0.689 . . . . 41.31 109.138 -173.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.66 110.12 7.7 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 108.511 -0.922 . . . . 74.11 108.511 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -77.02 129.03 35.56 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 124.244 1.018 . . . . 65.43 109.643 -172.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 24.6 tt0 -133.03 103.55 12.88 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 123.752 0.821 . . . . 64.2 109.323 172.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.22 161.03 47.51 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.003 1.802 . . . . 73.02 111.782 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.04 113.1 14.39 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.253 -1.017 . . . . 60.14 108.253 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -68.82 -20.49 64.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.466 0.706 . . . . 75.44 110.983 -174.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.5 82.66 12.57 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 107.138 -1.43 . . . . 73.44 107.138 172.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.17 130.39 32.15 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.7 2.267 . . . . 64.03 112.3 -175.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -134.77 157.38 46.89 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.862 0.865 . . . . 74.42 110.725 -170.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.35 114.65 27.25 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.601 0.76 . . . . 64.22 111.231 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 19.6 m -107.07 168.44 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.573 1.149 . . . . 65.45 109.892 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -108.62 129.39 55.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.976 0.51 . . . . 74.1 110.218 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.0 139.73 49.97 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 108.093 -1.077 . . . . 71.33 108.093 171.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -66.37 150.23 49.2 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.538 -0.542 . . . . 72.42 109.538 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.1 p -125.56 153.92 42.97 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.638 -0.505 . . . . 74.44 109.638 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.561 HG23 HD11 ' A' ' 169' ' ' LEU . 22.9 p -74.28 -29.76 61.8 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.841 -0.618 . . . . 74.35 110.291 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -81.81 -24.2 36.05 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.006 0.743 . . . . 72.34 113.006 -172.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.45 -123.45 1.19 Allowed Glycine 0 C--N 1.356 1.642 0 CA-C-O 118.681 -1.066 . . . . 34.51 113.609 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.52 153.42 71.45 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 123.621 2.881 . . . . 53.35 113.428 -174.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.98 140.23 65.17 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.036 1.824 . . . . 54.15 111.886 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.97 129.33 45.27 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.136 0.974 . . . . 64.45 110.203 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 15.3 pt-20 -80.39 125.54 30.04 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 123.693 0.621 . . . . 65.01 110.495 177.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 168' ' ' ALA . 45.0 m-85 -128.94 142.82 50.81 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.518 -0.919 . . . . 74.44 108.518 174.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.8 m -85.44 139.63 31.37 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.401 -0.592 . . . . 72.31 109.401 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -75.53 116.69 16.52 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.482 -0.562 . . . . 72.42 109.482 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -86.14 -50.54 6.93 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.639 0.375 . . . . 63.23 110.875 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.53 173.55 16.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.607 0.718 . . . . 71.14 111.61 -173.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.9 t -134.48 119.08 28.48 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 125.305 1.442 . . . . 75.23 107.207 174.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.482 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.0 mm? -99.07 118.35 35.62 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.788 0.835 . . . . 73.25 110.58 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.46 116.89 4.87 Favored Glycine 0 N--CA 1.471 0.983 0 N-CA-C 110.656 -0.978 . . . . 70.3 110.656 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.599 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 52.5 p90 -143.24 -175.38 4.51 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 117.61 0.705 . . . . 71.05 110.292 -169.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -139.18 137.71 36.28 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.333 0.587 . . . . 74.04 109.703 171.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.4 tp -139.13 136.41 35.12 Favored 'General case' 0 C--O 1.249 1.038 0 C-N-CA 124.692 1.197 . . . . 72.14 108.054 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.67 -107.69 1.97 Allowed Glycine 0 C--N 1.353 1.506 0 CA-C-O 120.989 0.216 . . . . 42.31 112.953 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -117.73 -5.41 11.11 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.195 0.998 . . . . 71.45 110.251 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.6 m -115.94 132.96 56.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.002 0.521 . . . . 70.5 111.298 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -86.85 124.33 32.96 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 106.845 -1.539 . . . . 74.43 106.845 167.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -138.92 153.6 48.26 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.081 0.467 . . . . 73.44 110.558 -171.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 m -118.07 148.37 42.35 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.184 0.994 . . . . 71.32 109.016 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.599 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 6.2 tp -141.63 131.91 25.01 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.186 -0.672 . . . . 53.12 109.186 -171.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 m -87.81 127.98 35.33 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.469 0.307 . . . . 75.12 110.769 -174.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -101.9 120.84 41.04 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.541 0.737 . . . . 53.54 109.423 174.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.58 171.95 8.22 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 122.965 0.506 . . . . 70.22 109.857 175.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.569 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 39.6 ttm180 -119.85 131.56 55.32 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.401 1.08 . . . . 71.15 108.91 -175.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.21 113.4 44.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 124.573 1.149 . . . . 74.22 107.979 170.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.19 132.04 52.41 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.185 0.994 . . . . 73.02 111.583 -172.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 88.34 -21.62 24.05 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-N 115.857 -0.61 . . . . 71.32 112.637 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -97.12 129.19 44.55 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.828 0.851 . . . . 73.42 109.202 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.0 t -67.94 -24.57 65.19 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.875 1.27 . . . . 61.44 112.618 -178.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.532 ' HB3' ' HB2' ' A' ' 135' ' ' ASP . 15.2 m -90.49 143.34 26.84 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.529 0.732 . . . . 71.21 111.17 -174.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 21.1 mt -83.81 137.68 33.59 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.167 0.987 . . . . 74.43 108.93 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.56 103.97 15.86 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.605 -0.887 . . . . 61.53 108.605 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 104' ' ' ALA . 24.2 t -108.8 100.37 39.02 Favored Pre-proline 0 C--O 1.244 0.788 0 C-N-CA 124.029 0.932 . . . . 74.34 108.566 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 90.2 Cg_endo -86.96 135.01 3.81 Favored 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 122.576 2.184 . . . . 72.4 110.814 169.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -151.02 167.98 26.0 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.381 0.61 . . . . 53.15 111.416 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.8 p -137.36 171.17 14.87 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 114.414 -1.266 . . . . 75.22 107.822 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -160.53 -168.35 2.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.811 0.844 . . . . 75.21 109.985 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -67.34 -33.98 76.38 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 119.636 -0.221 . . . . 74.43 111.583 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.5 m -71.52 -37.43 71.2 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.16 0.584 . . . . 71.13 111.19 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.484 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 27.6 p -73.98 -42.1 60.95 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.143 177.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.93 -26.84 67.78 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.654 0.782 . . . . 55.3 111.303 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -75.65 -4.99 43.26 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.174 0.99 . . . . 65.33 111.183 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.4 -26.72 6.13 Favored Glycine 0 C--N 1.35 1.338 0 N-CA-C 114.705 0.642 . . . . 74.42 114.705 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -68.3 -18.93 64.64 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 112.901 0.704 . . . . 73.42 112.901 -171.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.9 p -125.95 171.68 10.55 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.419 0.687 . . . . 75.11 109.252 164.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -69.64 99.54 1.32 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.815 0.846 . . . . 73.41 112.574 -162.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.484 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 10.1 pt-20 -58.93 -30.27 67.74 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.842 1.657 . . . . 74.41 113.27 -176.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -70.0 -16.87 63.24 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.369 0.668 . . . . 71.3 111.706 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 139.55 157.42 7.28 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-O 121.194 0.33 . . . . 74.11 113.022 170.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 20.2 mtp180 -115.06 143.22 45.53 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.259 1.424 . . . . 65.54 108.04 174.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -94.4 151.33 19.47 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.715 -0.476 . . . . 73.4 109.715 169.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.2 tt -148.65 125.2 11.03 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 106.665 -1.606 . . . . 73.14 106.665 170.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.532 ' HB2' ' HB3' ' A' ' 112' ' ' SER . 4.7 p-10 -96.66 131.38 43.38 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.25 -1.019 . . . . 70.53 108.25 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.55 122.99 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 108.871 -0.789 . . . . 73.0 108.871 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.89 122.73 78.2 Favored Pre-proline 0 C--O 1.241 0.606 0 N-CA-C 106.915 -1.513 . . . . 73.35 106.915 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -62.34 -25.26 76.32 Favored 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 122.554 2.17 . . . . 75.53 113.364 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 53.13 33.04 14.23 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 124.358 1.036 . . . . 72.43 112.3 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.658 ' HA3' ' SD ' ' A' ' 1' ' ' MET . . . 54.43 34.96 55.32 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 115.397 -0.819 . . . . 61.02 114.548 -173.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -74.3 158.75 33.46 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.045 0.45 . . . . 73.12 111.179 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -127.4 169.6 13.43 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.821 0.848 . . . . 73.22 108.859 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 65' ' ' GLN . . . -62.56 111.37 3.98 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 123.637 0.586 . . . . 64.35 111.766 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.46 -11.97 28.23 Favored Glycine 0 N--CA 1.471 1.017 0 CA-C-O 119.697 -0.502 . . . . 71.15 113.757 -176.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.2 -173.98 4.28 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 108.819 -0.808 . . . . 51.4 108.819 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -146.25 156.24 43.24 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.543 0.687 . . . . 60.24 111.477 174.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 28.6 m -134.08 166.6 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 114.7 -1.137 . . . . 64.13 109.748 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.41 110.87 20.01 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.931 0.493 . . . . 51.4 110.844 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.32 86.93 3.29 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 108.361 -0.977 . . . . 43.21 108.361 170.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 27.7 t70 -90.13 106.82 18.74 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.796 -0.816 . . . . 50.03 108.796 172.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.589 ' HB3' HG21 ' A' ' 180' ' ' ILE . 39.5 m-85 -73.32 -14.61 61.33 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.818 -1.083 . . . . 75.32 111.283 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.32 -21.41 61.99 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 123.333 0.653 . . . . 73.24 111.588 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 19' ' ' ILE . 3.2 mm? -72.18 -26.75 62.19 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 118.84 -0.6 . . . . 75.12 111.533 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.448 ' HB3' HH21 ' A' ' 132' ' ' ARG . . . -45.61 118.31 1.74 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.46 1.104 . . . . 75.12 113.609 -164.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -100.93 165.81 11.15 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 125.239 1.415 . . . . 72.11 109.938 -170.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -102.69 126.36 33.05 Favored Pre-proline 0 CA--C 1.551 0.999 0 CA-C-N 114.499 -1.228 . . . . 71.12 108.536 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.38 142.65 68.81 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.818 2.345 . . . . 71.12 112.681 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.473 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 68.4 m-85 -74.35 -3.93 33.3 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 113.558 0.947 . . . . 75.05 113.558 -172.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 49.3 t -68.02 -26.25 65.79 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.403 0.681 . . . . 71.43 111.007 167.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -81.76 -18.86 42.73 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.892 0.477 . . . . 74.22 112.029 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 33.1 m-85 -85.88 -11.09 54.15 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.027 0.531 . . . . 65.24 111.521 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.12 -17.87 0.05 OUTLIER Glycine 0 C--N 1.35 1.338 0 N-CA-C 114.758 0.663 . . . . 63.14 114.758 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 96.55 42.91 3.29 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 111.13 -0.788 . . . . 71.01 111.13 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 51.1 m -133.23 68.88 1.49 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.479 0.712 . . . . 63.15 109.563 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.23 152.69 0.11 Allowed 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 125.504 1.522 . . . . 54.41 109.003 176.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 39.5 m -114.77 96.26 5.64 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 107.708 -1.219 . . . . 74.31 107.708 172.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 15.8 p -89.69 141.47 28.58 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.904 -0.406 . . . . 71.52 109.904 -164.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.414 ' HB2' ' CE1' ' A' ' 85' ' ' TYR . . . -80.07 93.25 5.74 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.531 0.732 . . . . 54.12 109.642 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.561 HD11 HG23 ' A' ' 78' ' ' THR . 8.2 mp -60.29 125.58 82.04 Favored Pre-proline 0 N--CA 1.475 0.804 0 N-CA-C 108.874 -0.787 . . . . 63.53 108.874 175.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -65.86 150.89 85.48 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.214 1.943 . . . . 52.51 111.805 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -63.35 161.42 30.99 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.072 1.848 . . . . 74.21 111.196 170.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -52.08 -31.56 30.94 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.033 0.933 . . . . 73.53 112.725 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -69.21 -21.49 63.94 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.065 0.946 . . . . 74.44 112.549 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.18 28.87 1.77 Allowed 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.156 0.503 . . . . 75.2 111.209 -175.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -93.16 110.81 22.32 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.774 0.83 . . . . 71.2 108.974 168.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.6 127.52 84.14 Favored Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 108.279 -1.008 . . . . 75.12 108.279 173.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -78.61 46.0 2.03 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 123.099 2.533 . . . . 42.14 112.476 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -143.16 155.0 44.46 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 124.239 1.015 . . . . 70.4 109.247 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.99 110.54 21.51 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.317 0.647 . . . . 72.4 109.946 175.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.5 mp -106.8 85.2 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 106.324 -1.732 . . . . 64.21 106.324 177.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.94 83.04 8.19 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.392 -0.822 . . . . 64.42 110.321 -174.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -165.39 117.74 1.15 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.01 0.924 . . . . 64.14 108.989 175.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 51' ' ' TYR . . . 172.5 -162.41 34.21 Favored Glycine 0 C--O 1.238 0.402 0 N-CA-C 109.96 -1.256 . . . . 70.34 109.96 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' GLU . . . . . 0.421 ' HG3' ' HB2' ' A' ' 50' ' ' ARG . 41.0 tt0 -80.6 144.93 31.99 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.742 -0.836 . . . . 75.3 108.742 166.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -76.22 155.19 34.65 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.875 0.47 . . . . 74.33 110.941 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 7.8 t -108.82 127.3 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.926 0.89 . . . . 73.11 108.752 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -98.93 131.58 44.9 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.106 0.562 . . . . 70.05 110.579 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.45 37.59 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 114.975 1.472 . . . . 74.44 114.975 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.05 -30.57 34.78 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.472 0.309 . . . . 73.23 110.896 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.34 -69.13 0.53 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.141 0.576 . . . . 72.43 109.832 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 123.667 0.787 . . . . 65.2 108.969 178.912 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.618 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 46.1 tpp . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 106.061 -1.829 . . . . 65.34 106.061 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.541 ' H ' ' HG3' ' A' ' 1' ' ' MET . 5.1 p -61.59 -38.29 49.86 Favored Pre-proline 0 CA--C 1.567 1.632 0 CA-C-O 118.551 -0.738 . . . . 71.54 111.461 168.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.618 ' HD2' ' HB3' ' A' ' 1' ' ' MET . 1.9 Cg_endo -86.15 175.72 5.51 Favored 'Trans proline' 0 C--N 1.395 2.999 0 C-N-CA 121.82 1.68 . . . . 75.13 111.351 159.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.4 tt -70.93 140.58 86.18 Favored Pre-proline 0 CA--C 1.568 1.672 0 CA-C-N 115.834 -0.621 . . . . 44.14 110.269 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.56 127.98 9.21 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.599 2.199 . . . . 74.33 110.293 170.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mt -176.36 -51.09 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 125.99 1.716 . . . . 62.15 108.07 -170.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -80.83 22.53 0.78 Allowed 'Trans proline' 0 C--N 1.399 3.218 0 C-N-CA 122.206 1.937 . . . . 64.4 112.461 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.89 -28.43 44.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 C-N-CA 124.573 1.149 . . . . 65.31 111.32 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -79.2 91.58 4.99 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.576 0.75 . . . . 64.33 110.24 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -29.67 140.91 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.606 1.562 . . . . 71.44 113.924 168.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.0 t -49.76 138.37 14.71 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 123.743 0.652 . . . . 70.14 109.961 170.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -42.05 -37.86 1.5 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 125.019 1.328 . . . . 62.23 114.023 -169.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.66 -55.54 25.98 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.608 0.763 . . . . 74.42 110.499 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -67.33 -28.37 67.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.899 0.879 . . . . 74.43 111.496 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.516 ' O ' HG13 ' A' ' 19' ' ' ILE . 34.9 t90 -69.55 -50.66 42.67 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.182 0.993 . . . . 72.32 109.765 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.446 ' HA ' HD12 ' A' ' 19' ' ' ILE . 56.6 mtt180 -69.84 -28.1 65.4 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.069 -0.514 . . . . 74.34 110.84 177.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.23 96.4 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 118.898 -0.573 . . . . 64.2 111.077 168.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 29.2 mmt180 -58.15 -52.33 66.01 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 109.589 -0.522 . . . . 73.35 109.589 174.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 15' ' ' TRP . 13.1 mt -57.35 -53.99 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 124.329 1.018 . . . . 63.42 111.266 -176.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.79 86.97 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 124.359 1.037 . . . . 52.4 111.726 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.89 -34.12 68.9 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.039 0.535 . . . . 42.15 111.935 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -74.19 -33.68 63.5 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.309 0.644 . . . . 64.31 110.199 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -69.11 -45.42 70.26 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 123.541 0.736 . . . . 71.12 109.116 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.2 96.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.663 0.785 . . . . 73.31 110.568 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.66 -60.23 3.73 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.735 -1.121 . . . . 73.34 110.37 173.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.605 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 41.3 mmtm -70.15 -12.92 61.94 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.359 0.664 . . . . 64.34 112.645 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.565 ' HA ' HD23 ' A' ' 49' ' ' LEU . 26.3 t70 -71.4 -53.22 14.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.246 0.618 . . . . 75.44 110.381 170.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -82.89 -14.06 54.92 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.398 -0.364 . . . . 74.45 111.908 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -56.15 -59.82 4.38 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.411 1.085 . . . . 72.13 112.225 -175.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.35 -9.59 58.76 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.332 0.494 . . . . 74.33 112.332 -175.557 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.29 -48.94 6.2 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.43 0.692 . . . . 74.13 111.39 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.9 p -113.44 -55.5 2.51 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.61 0.764 . . . . 71.13 110.965 -169.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -57.87 123.62 16.39 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 115.188 -0.915 . . . . 73.23 111.367 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.98 -8.57 38.37 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.683 1.193 . . . . 64.21 113.738 -172.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.68 -28.85 68.04 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.174 0.99 . . . . 53.31 112.299 -169.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 66.1 m -154.26 136.38 9.49 Favored Pre-proline 0 N--CA 1.48 1.026 0 N-CA-C 107.89 -1.152 . . . . 73.12 107.89 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -91.31 159.49 3.73 Favored 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 122.519 2.146 . . . . 54.54 112.28 173.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.545 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 15.4 tt -106.88 144.11 28.43 Favored Pre-proline 0 CA--C 1.554 1.115 0 N-CA-C 106.902 -1.518 . . . . 72.41 106.902 165.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -54.28 142.67 67.64 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 121.977 1.785 . . . . 75.24 112.319 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.38 -26.02 81.72 Favored 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 123.302 2.668 . . . . 75.22 113.443 -171.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.41 90.4 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.517 0.727 . . . . 53.05 110.872 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.81 -30.45 51.22 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.609 0.764 . . . . 73.45 110.475 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HB2' HG23 ' A' ' 38' ' ' ILE . 65.2 ttt180 -68.39 -32.52 72.65 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.292 0.637 . . . . 75.3 111.33 175.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.04 -44.47 45.33 Favored Glycine 0 C--N 1.348 1.216 0 N-CA-C 111.43 -0.668 . . . . 71.32 111.43 173.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.43 28.7 1.07 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.001 0.921 . . . . 62.32 111.735 175.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -77.32 101.13 6.16 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.148 0.499 . . . . 55.11 110.305 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -92.65 -50.18 5.73 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.648 -0.871 . . . . 75.22 108.648 168.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 174.12 178.65 44.2 Favored Glycine 0 C--O 1.244 0.767 0 CA-C-N 114.479 -1.237 . . . . 32.44 112.186 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 30' ' ' LEU . 4.4 mm? -99.36 158.82 15.45 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.094 0.558 . . . . 75.22 111.156 177.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -98.23 121.02 39.65 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.148 -0.933 . . . . 54.31 110.958 -166.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -126.9 146.3 50.35 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.726 -1.213 . . . . 75.11 107.726 168.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -101.15 175.03 5.73 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.535 0.734 . . . . 70.14 110.043 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.52 134.63 56.66 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.812 0.695 . . . . 75.13 110.791 -170.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.425 HG21 ' HG2' ' A' ' 16' ' ' ARG . 38.2 mm -67.58 133.81 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 C-N-CA 124.24 1.016 . . . . 74.41 110.905 -172.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -150.81 118.96 6.3 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.746 0.308 . . . . 74.01 111.204 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.89 -11.72 59.79 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.268 1.027 . . . . 70.42 113.169 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.0 m -79.01 -25.74 43.28 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 110.253 -0.277 . . . . 72.22 110.253 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -75.62 2.71 11.14 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.296 0.638 . . . . 64.14 112.464 172.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.54 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 32.9 ttm180 -91.37 108.17 19.7 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.134 -1.061 . . . . 53.1 108.134 171.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.5 m -100.37 145.5 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 108.775 -0.824 . . . . 73.04 108.775 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.4 123.54 33.05 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.704 -1.221 . . . . 70.41 107.704 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.84 137.56 51.48 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.668 -0.493 . . . . 73.21 109.668 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.01 115.14 13.13 Favored 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.118 0.886 . . . . 74.01 108.811 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.448 ' HA ' HD13 ' A' ' 91' ' ' LEU . 35.6 t80 -81.91 113.65 19.98 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 123.962 0.905 . . . . 73.44 109.39 -176.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -113.96 104.59 54.94 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 107.94 -1.133 . . . . 52.01 107.94 170.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.5 151.5 79.8 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.141 1.894 . . . . 65.12 111.255 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.73 100.54 2.87 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.39 -1.337 . . . . 62.01 107.39 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -56.56 -20.03 18.71 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.041 0.936 . . . . 64.13 111.93 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -141.75 93.39 7.62 Favored Pre-proline 0 CA--C 1.551 0.995 0 N-CA-C 107.367 -1.345 . . . . 64.3 107.367 168.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.86 127.61 19.02 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.752 2.302 . . . . 75.55 111.922 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -132.39 153.81 50.42 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.262 0.625 . . . . 70.14 109.804 -173.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.99 135.17 36.83 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.598 0.759 . . . . 64.31 110.38 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 85' ' ' TYR . 5.1 m -132.88 164.23 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.034 1.334 . . . . 73.12 108.756 -177.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -108.38 130.18 55.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.254 0.622 . . . . 42.33 109.483 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -116.29 122.69 45.7 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.286 -1.375 . . . . 54.23 107.286 167.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HB2' HD12 ' A' ' 169' ' ' LEU . 46.1 mt-10 -64.58 156.81 28.73 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.783 0.433 . . . . 62.33 110.315 -176.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.0 p -119.68 151.78 38.19 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.42 0.555 . . . . 53.21 109.545 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.3 p -66.34 -25.99 67.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.39 0.676 . . . . 75.25 110.925 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -90.72 -7.89 51.32 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.555 0.742 . . . . 73.51 111.436 -175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.38 -119.02 1.71 Allowed Glycine 0 C--N 1.353 1.504 0 CA-C-O 118.754 -1.025 . . . . 70.4 113.08 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 13.1 Cg_endo -51.26 133.91 43.13 Favored 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 125.001 3.801 . . . . 64.24 113.78 -171.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 25.4 Cg_exo -63.72 141.45 79.09 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 123.029 2.486 . . . . 73.14 113.601 -176.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.18 117.17 24.83 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.854 1.262 . . . . 73.34 108.907 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.91 125.51 32.71 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.336 0.654 . . . . 73.35 110.594 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.508 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 70.0 m-85 -133.56 150.67 51.64 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.623 0.769 . . . . 73.25 109.392 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.3 m -89.37 130.64 35.71 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.561 -0.903 . . . . 71.42 108.561 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -74.95 115.92 15.1 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.751 0.705 . . . . 75.0 109.134 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.624 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -97.81 -35.9 10.37 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.927 0.891 . . . . 52.41 111.764 -176.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.18 170.02 21.56 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.98 0.512 . . . . 74.53 110.465 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.496 HG12 HG22 ' A' ' 101' ' ' THR . 7.6 t -136.79 112.07 11.1 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 N-CA-C 107.205 -1.406 . . . . 65.53 107.205 175.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 64' ' ' TYR . 3.5 mm? -93.4 127.57 39.07 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.076 0.95 . . . . 75.11 110.388 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -118.62 127.5 7.29 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-O 119.617 -0.546 . . . . 74.22 111.873 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -152.24 170.77 19.21 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 117.591 0.696 . . . . 74.43 110.268 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.555 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 6.0 p-10 -116.78 144.39 44.53 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.096 -0.705 . . . . 74.13 109.096 170.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.51 133.53 42.3 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 106.922 -1.51 . . . . 74.5 106.922 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.91 -104.77 0.71 Allowed Glycine 0 C--N 1.355 1.585 0 CA-C-O 121.008 0.227 . . . . 74.23 113.215 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -114.8 -7.04 12.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.612 0.765 . . . . 51.32 111.607 -175.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.441 ' HB2' ' HG3' ' A' ' 177' ' ' PRO . 68.6 m -137.21 155.46 49.49 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.692 0.758 . . . . 44.32 112.409 -173.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 6.3 p80 -105.13 138.11 41.84 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.884 -1.053 . . . . 74.14 110.406 -177.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -139.57 153.57 47.43 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.115 0.966 . . . . 72.3 109.782 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.496 HG22 HG12 ' A' ' 90' ' ' VAL . 10.4 m -128.3 116.12 19.34 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 114.995 -1.002 . . . . 73.54 108.668 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 mp -103.18 141.0 36.62 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.942 1.297 . . . . 71.54 109.433 -173.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 15.0 m -91.41 130.73 37.21 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 110.042 -0.355 . . . . 63.43 110.042 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.03 129.67 48.39 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.535 1.134 . . . . 75.43 109.513 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.508 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 65.7 m-85 -107.82 145.55 33.46 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.569 0.748 . . . . 72.1 110.921 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.624 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 52.1 ttt180 -91.51 121.05 32.86 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 125.378 1.471 . . . . 61.14 108.281 173.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.623 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 17.0 t -95.01 127.2 47.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 108.288 -1.005 . . . . 23.11 108.288 175.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -53.39 115.3 1.85 Allowed 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 124.36 1.064 . . . . 71.12 112.428 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 88.44 -7.27 82.19 Favored Glycine 0 N--CA 1.473 1.112 0 CA-C-N 115.774 -0.648 . . . . 70.43 113.511 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.623 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 13.7 tp10 -103.59 129.7 50.89 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.833 0.853 . . . . 74.41 109.729 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.6 m -70.9 -27.84 64.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.328 1.051 . . . . 60.14 112.569 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.7 m -90.42 141.86 28.31 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.385 0.674 . . . . 64.15 110.561 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.2 mt -81.21 144.84 31.31 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.095 0.958 . . . . 64.42 109.293 175.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -100.44 109.31 21.45 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.644 -1.243 . . . . 73.13 107.644 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.0 90.93 5.8 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 107.543 -1.28 . . . . 73.31 107.543 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.477 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 61.4 Cg_endo -72.81 132.6 18.77 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 121.972 1.781 . . . . 52.13 110.105 176.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -152.58 167.52 28.58 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.447 0.641 . . . . 71.21 111.666 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.456 HG23 ' HG3' ' A' ' 170' ' ' PRO . 15.1 p -134.27 149.41 50.92 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.01 -1.45 . . . . 64.34 109.553 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -112.56 -176.6 2.95 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.131 -1.063 . . . . 72.41 108.131 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 179' ' ' ALA . 28.2 mm-40 -63.37 -17.58 62.77 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 122.255 0.222 . . . . 74.33 111.048 167.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 76.8 p -54.94 -27.33 42.7 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.951 1.301 . . . . 75.14 112.408 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 71.4 p -70.69 -49.82 43.04 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.794 0.838 . . . . 73.1 110.642 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.59 -31.16 71.93 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.354 1.061 . . . . 73.45 110.886 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.38 -33.08 74.77 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.685 1.194 . . . . 64.04 111.842 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.07 -43.86 1.72 Allowed Glycine 0 C--N 1.349 1.258 0 CA-C-O 119.216 -0.769 . . . . 71.11 114.761 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -54.98 -45.97 75.07 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 124.112 0.965 . . . . 75.2 112.991 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 128' ' ' TYR . 1.3 m -89.23 -174.95 4.61 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 114.926 -1.034 . . . . 70.5 109.264 -174.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.464 ' H ' HG22 ' A' ' 127' ' ' THR . 26.3 p90 -46.77 143.84 2.63 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.332 1.053 . . . . 74.54 111.998 172.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -86.53 -51.13 6.36 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.93 0.492 . . . . 74.43 109.673 167.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.428 ' HE1' ' HB2' ' A' ' 159' ' ' CYS . 10.4 p-80 -70.12 -24.36 63.18 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.212 0.819 . . . . 72.3 113.212 -164.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.27 -177.02 16.88 Favored Glycine 0 C--N 1.34 0.781 0 CA-C-O 121.751 0.639 . . . . 34.24 113.446 -175.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.477 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 30.6 ptt180 -142.1 -176.29 4.75 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.143 -1.428 . . . . 65.12 107.143 172.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 94.4 m-85 -113.52 173.44 6.41 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 123.447 0.699 . . . . 75.4 110.512 173.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.458 HD22 HG22 ' A' ' 136' ' ' VAL . 1.6 tt -132.83 119.76 20.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.222 -2.14 . . . . 63.51 105.222 164.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -90.88 99.74 12.72 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.322 -1.362 . . . . 74.34 107.322 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.458 HG22 HD22 ' A' ' 134' ' ' LEU . 57.2 t -100.54 124.35 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 114.69 -1.141 . . . . 65.31 109.291 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -85.58 107.49 12.65 Favored Pre-proline 0 C--O 1.241 0.61 0 N-CA-C 105.975 -1.861 . . . . 74.42 105.975 171.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.22 -23.53 66.21 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.338 2.026 . . . . 72.4 112.346 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 52.18 36.17 18.56 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 124.405 1.082 . . . . 43.33 111.894 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 50.73 50.13 38.36 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.71 0.631 . . . . 63.13 114.378 -171.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -71.97 168.4 18.1 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.437 0.695 . . . . 71.21 112.041 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -143.96 170.05 16.66 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.972 0.509 . . . . 74.11 110.29 -174.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.8 115.26 6.59 Favored Glycine 0 C--N 1.354 1.535 0 C-N-CA 123.727 0.679 . . . . 74.24 113.639 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.69 -1.71 60.06 Favored Glycine 0 N--CA 1.467 0.766 0 O-C-N 123.818 0.363 . . . . 52.54 112.856 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -82.63 -172.75 4.24 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.47 -0.937 . . . . 74.42 108.47 169.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -144.03 155.01 43.84 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.176 0.512 . . . . 72.5 111.508 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 35.5 m -134.98 161.4 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.054 0.942 . . . . 74.15 109.764 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.23 108.32 14.77 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.479 0.712 . . . . 74.22 110.981 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.74 91.94 6.32 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 108.208 -1.034 . . . . 73.31 108.208 170.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.54 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 9.1 t0 -97.35 110.49 23.03 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.688 -0.687 . . . . 60.33 109.395 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.431 ' HB3' HG21 ' A' ' 180' ' ' ILE . 17.4 m-85 -80.19 -18.33 49.93 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.488 0.715 . . . . 72.32 111.675 -177.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.607 ' HA ' ' HB1' ' A' ' 182' ' ' ALA . 28.5 t-20 -74.33 -36.01 63.65 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.435 -0.58 . . . . 53.11 109.435 173.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' A' ' 19' ' ' ILE . 8.7 mp -95.74 10.94 35.25 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 114.994 -1.003 . . . . 74.22 111.619 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -53.73 150.73 6.94 Favored 'General case' 0 C--O 1.243 0.715 0 O-C-N 124.017 0.823 . . . . 74.11 111.195 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.605 ' HE1' ' HE2' ' A' ' 26' ' ' LYS . 67.7 t80 -95.39 137.02 35.02 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 108.004 -1.11 . . . . 73.41 108.004 -172.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.627 ' HB3' ' HD2' ' A' ' 185' ' ' ARG . 45.3 m-80 -118.24 131.11 24.35 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 122.556 0.342 . . . . 74.52 111.245 -167.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 156' ' ' ASN . 10.7 Cg_exo -73.79 163.55 36.86 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 123.564 2.843 . . . . 73.23 112.596 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -86.15 -4.16 59.11 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.618 0.767 . . . . 64.24 112.723 -171.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' CYS . . . . . 0.428 ' HB2' ' HE1' ' A' ' 130' ' ' HIS . 15.5 m -62.0 -34.45 76.21 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.748 1.018 . . . . 73.53 113.748 -171.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.506 ' HB3' ' HG3' ' A' ' 185' ' ' ARG . . . -78.72 10.3 3.4 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 112.938 0.718 . . . . 65.51 112.938 -176.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -90.67 8.05 36.36 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 109.666 -0.494 . . . . 63.41 109.666 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.81 -40.08 2.54 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 111.281 -0.728 . . . . 63.25 111.281 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -66.15 148.64 51.02 Favored Glycine 0 C--N 1.349 1.268 0 N-CA-C 111.931 -0.468 . . . . 62.35 111.931 169.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 13.1 m -100.74 92.71 5.21 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.057 -1.09 . . . . 75.23 108.057 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -97.8 155.34 17.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.114 0.566 . . . . 51.2 110.563 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 33.2 p -76.97 132.1 38.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.224 0.61 . . . . 73.11 109.974 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 10.4 p -144.34 126.35 15.46 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.604 0.762 . . . . 73.02 109.375 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -68.87 113.02 5.92 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.802 0.841 . . . . 73.33 110.299 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 76' ' ' GLU . 97.4 mt -62.71 141.54 97.08 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.45 1.1 . . . . 73.31 110.868 178.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.456 ' HG3' HG23 ' A' ' 118' ' ' THR . 37.0 Cg_endo -64.81 148.47 90.03 Favored 'Trans proline' 0 C--N 1.368 1.573 0 C-N-CA 122.678 2.252 . . . . 75.11 112.447 175.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.77 148.41 22.16 Favored 'Trans proline' 0 C--N 1.371 1.747 0 C-N-CA 122.652 2.235 . . . . 73.24 111.912 162.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -43.05 -35.21 1.2 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.382 1.623 . . . . 74.33 115.382 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -92.99 -2.11 56.06 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.305 0.574 . . . . 70.33 111.884 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -85.66 16.84 3.64 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 121.795 0.807 . . . . 61.35 110.633 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -93.74 114.41 26.69 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.03 -1.1 . . . . 70.43 108.03 167.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 33.8 m -81.47 143.12 50.93 Favored Pre-proline 0 CA--C 1.553 1.062 0 N-CA-C 109.054 -0.721 . . . . 44.33 109.054 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.441 ' HG3' ' HB2' ' A' ' 98' ' ' SER . 44.9 Cg_endo -87.53 38.83 0.53 Allowed 'Trans proline' 0 C--N 1.372 1.775 0 C-N-CA 123.091 2.527 . . . . 74.35 112.112 -174.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -150.52 147.36 27.38 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 124.518 1.127 . . . . 64.44 108.722 -172.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 120' ' ' GLU . . . -90.94 124.18 35.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.762 -0.829 . . . . 72.0 108.762 175.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -113.58 92.15 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 107.435 -1.32 . . . . 54.02 107.435 178.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 22.7 p -84.9 80.55 9.24 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 122.028 0.918 . . . . 72.02 108.655 173.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 152' ' ' ASN . . . -126.48 -157.8 0.82 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 113.588 -1.642 . . . . 72.23 107.821 -177.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -57.0 103.38 0.28 Allowed Glycine 0 C--N 1.363 2.064 0 N-CA-C 109.551 -1.42 . . . . 62.23 109.551 167.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -128.13 157.09 41.7 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 125.114 1.366 . . . . 74.24 109.256 -169.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.627 ' HD2' ' HB3' ' A' ' 156' ' ' ASN . 2.4 tpm_? -99.65 121.5 41.31 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.739 -0.467 . . . . 63.01 109.739 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 2.6 p -167.38 155.17 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 C-N-CA 126.076 1.75 . . . . 72.24 107.594 -169.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' ASP . . . . . 0.42 ' HB2' HD23 ' A' ' 190' ' ' LEU . 30.4 m-20 -57.95 124.78 20.46 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.697 0.399 . . . . 75.25 110.83 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.65 -26.87 68.28 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 124.84 1.338 . . . . 30.2 112.0 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.73 -31.58 72.87 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.558 0.743 . . . . 70.3 111.902 175.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 187' ' ' ASP . 4.0 mm? -92.61 -56.97 2.82 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.788 0.835 . . . . 64.51 110.244 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 . . . . . 0 C--O 1.25 1.103 0 C-N-CA 124.351 1.06 . . . . 44.32 109.389 -176.055 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.856 -0.424 . . . . 55.13 109.856 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.462 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 33.2 t -74.42 -51.05 4.5 Favored Pre-proline 0 CA--C 1.562 1.413 0 CA-C-O 118.622 -0.704 . . . . 63.05 110.619 176.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 2' ' ' SER . 5.4 Cg_exo -78.54 159.85 28.66 Favored 'Trans proline' 0 C--N 1.395 3.02 0 C-N-CA 121.612 1.541 . . . . 73.24 111.039 171.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.61 142.65 96.71 Favored Pre-proline 0 N--CA 1.483 1.199 0 C-N-CA 123.193 0.597 . . . . 70.15 109.67 173.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.6 127.7 22.47 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 121.88 1.72 . . . . 71.42 110.757 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mt -177.46 -51.65 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.112 0 C-N-CA 125.932 1.693 . . . . 65.23 107.997 -171.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -83.19 33.84 0.53 Allowed 'Trans proline' 0 C--N 1.403 3.403 0 C-N-CA 122.043 1.828 . . . . 75.12 111.814 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 137' ' ' ASP . 33.4 m -61.48 -29.96 47.11 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 C-N-CA 123.902 0.881 . . . . 73.45 110.538 171.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 t -91.48 39.41 1.0 Allowed 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.303 1.041 . . . . 71.43 110.167 173.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 48.73 -158.88 0.06 Allowed 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.06 1.133 . . . . 65.54 114.06 -173.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -112.76 155.43 24.59 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.768 -1.567 . . . . 63.35 106.768 168.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -38.31 -47.46 1.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.875 1.806 . . . . 64.24 115.875 -165.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.11 -52.0 27.13 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.876 0.37 . . . . 71.53 110.925 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -63.76 -28.3 69.78 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.418 -0.81 . . . . 72.21 111.886 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.479 ' O ' HG13 ' A' ' 19' ' ' ILE . 19.8 t90 -72.22 -48.39 43.27 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.796 1.239 . . . . 74.15 109.991 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -63.08 -35.7 81.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.74 0.416 . . . . 63.33 110.567 174.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.15 93.31 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.703 0.401 . . . . 71.22 111.586 170.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 29.9 mmt180 -59.42 -51.04 71.59 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 123.479 0.487 . . . . 72.44 110.459 176.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.49 HG21 HD12 ' A' ' 54' ' ' ILE . 10.3 mt -61.37 -55.34 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 123.781 0.676 . . . . 62.25 110.132 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.97 -56.17 17.99 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.017 0.927 . . . . 73.34 111.587 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -52.98 58.36 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.557 0.536 . . . . 70.43 111.711 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -72.25 -34.05 67.96 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.3 0.64 . . . . 63.42 111.637 -171.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -85.91 -28.71 24.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.668 0.387 . . . . 73.3 110.846 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.04 68.94 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 120.891 0.377 . . . . 72.3 109.993 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.26 -45.25 94.12 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 115.509 -0.769 . . . . 73.35 109.642 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -66.05 -36.36 83.03 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.548 -0.751 . . . . 51.12 110.112 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.24 -44.85 94.04 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.081 0.953 . . . . 53.22 111.279 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.42 -22.34 38.29 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 119.32 -0.371 . . . . 64.4 111.212 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -51.03 -56.22 13.6 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.133 0.973 . . . . 73.22 112.848 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.67 -16.53 61.21 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.384 0.512 . . . . 42.41 112.384 -176.794 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.77 -40.97 15.49 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.952 0.501 . . . . 73.13 111.038 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.5 p -100.89 -56.71 2.26 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 123.224 0.61 . . . . 62.21 111.395 -174.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -66.81 143.9 56.62 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.319 0.581 . . . . 64.24 112.195 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -87.33 -9.36 55.09 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.724 -1.126 . . . . 34.44 111.045 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -62.31 -38.58 89.96 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.05 0.94 . . . . 73.13 112.123 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -154.82 71.89 5.89 Favored Pre-proline 0 N--CA 1.477 0.907 0 N-CA-C 107.61 -1.256 . . . . 62.11 107.61 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -86.27 165.08 9.71 Favored 'Trans proline' 0 C--N 1.368 1.592 0 C-N-CA 122.339 2.026 . . . . 71.11 112.713 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.411 HG13 ' HB2' ' A' ' 30' ' ' LEU . 47.9 mt -78.69 134.91 60.52 Favored Pre-proline 0 CA--C 1.549 0.917 0 N-CA-C 106.815 -1.55 . . . . 73.55 106.815 167.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -39.9 134.24 1.71 Allowed 'Trans proline' 0 C--N 1.387 2.602 0 C-N-CA 123.686 2.924 . . . . 74.43 113.169 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -45.07 -44.7 15.03 Favored 'Trans proline' 0 C--N 1.387 2.56 0 C-N-CA 124.37 3.38 . . . . 72.23 115.362 -164.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.48 -43.36 73.36 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.84 0.456 . . . . 73.05 111.041 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.13 -29.5 64.12 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.053 0.941 . . . . 75.23 111.146 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -68.34 -25.5 65.13 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.751 0.821 . . . . 65.52 111.108 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.81 -35.11 84.48 Favored Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.765 -0.652 . . . . 74.14 111.755 172.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.3 10.09 11.4 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.779 0.832 . . . . 72.31 112.815 176.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -78.53 112.1 15.24 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.959 0.409 . . . . 62.54 110.195 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.05 -34.3 10.13 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.726 0.81 . . . . 61.33 110.184 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.99 147.65 5.11 Favored Glycine 0 C--N 1.342 0.867 0 N-CA-C 110.369 -1.092 . . . . 52.1 110.369 -172.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 30' ' ' LEU . 65.8 mt -73.24 163.05 28.67 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.747 0.784 . . . . 64.52 111.91 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' HB3' ' HB3' ' A' ' 185' ' ' ARG . 2.0 mpt_? -88.72 117.92 28.04 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.494 -1.669 . . . . 72.5 106.494 176.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -127.44 150.39 49.67 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 122.837 0.455 . . . . 73.53 109.775 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -87.05 153.69 21.34 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 107.986 -1.116 . . . . 63.31 107.986 165.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -74.09 162.79 28.63 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 108.458 -0.942 . . . . 53.04 108.458 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.49 HD12 HG21 ' A' ' 19' ' ' ILE . 23.9 mm -63.56 112.89 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.199 0.599 . . . . 54.02 110.02 -170.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -103.88 126.81 51.27 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.009 0.523 . . . . 54.24 111.29 -170.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HA ' ' NH2' ' A' ' 59' ' ' ARG . . . -81.62 -32.86 31.76 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.994 0.917 . . . . 61.34 111.99 174.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.8 t -63.98 -32.28 73.76 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.189 0.996 . . . . 73.43 113.222 -166.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.449 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 64.3 m-85 -99.2 27.06 5.37 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.795 0.838 . . . . 74.25 112.075 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.478 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 30.0 ttm180 -97.75 93.71 6.53 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.855 -0.794 . . . . 74.22 108.855 171.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.3 m -100.24 166.62 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 109.501 -0.555 . . . . 74.55 109.501 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.03 122.46 45.25 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.464 -0.939 . . . . 73.11 108.464 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.7 138.65 47.99 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.449 0.7 . . . . 43.14 109.544 -172.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -74.54 125.76 29.32 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.555 -0.906 . . . . 74.15 108.555 175.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -89.89 126.78 35.84 Favored 'General case' 0 C--O 1.247 0.95 0 C-N-CA 124.294 1.038 . . . . 61.45 109.278 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -133.38 106.54 12.11 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.04 0.936 . . . . 75.14 109.003 172.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 74.1 Cg_endo -71.42 158.13 54.87 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.249 1.966 . . . . 72.45 111.229 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.64 103.56 12.24 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.095 -0.706 . . . . 63.21 109.095 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -67.77 -22.23 65.21 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.416 0.687 . . . . 72.44 110.51 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -121.27 82.7 38.66 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 124.518 1.127 . . . . 64.31 108.137 169.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.56 123.64 8.26 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 122.32 2.013 . . . . 70.2 112.207 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -125.12 154.43 41.46 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.714 0.806 . . . . 65.44 109.694 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 84' ' ' GLU . . . -85.46 128.25 34.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.849 -0.797 . . . . 73.13 108.849 174.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.48 152.09 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 108.494 -0.928 . . . . 71.31 108.494 175.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -95.87 121.16 37.32 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.431 -0.581 . . . . 72.44 109.431 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -118.68 118.39 31.5 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 106.822 -1.547 . . . . 74.43 106.822 170.805 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.2 153.4 18.43 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 109.673 -0.491 . . . . 65.35 109.673 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.9 p -107.1 152.52 23.93 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.638 -0.875 . . . . 73.32 108.638 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.0 p -68.85 -19.91 64.27 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.056 0.542 . . . . 74.02 111.294 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -82.67 -23.54 34.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.842 0.857 . . . . 71.11 111.374 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.85 -120.5 1.23 Allowed Glycine 0 C--N 1.351 1.403 0 CA-C-O 118.76 -1.022 . . . . 35.24 113.09 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -48.98 140.98 23.03 Favored 'Trans proline' 0 C--N 1.391 2.774 0 C-N-CA 124.966 3.777 . . . . 62.2 114.054 -170.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.98 161.63 43.35 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.75 2.3 . . . . 71.52 113.485 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.67 129.94 51.88 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 125.187 1.395 . . . . 74.51 108.983 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' HB3' ' HB1' ' A' ' 72' ' ' ALA . 39.6 mt-10 -88.58 126.39 35.26 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.159 0.583 . . . . 50.43 109.745 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.443 ' CD1' HD23 ' A' ' 75' ' ' LEU . 26.6 m-85 -122.76 134.42 54.44 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.257 -1.016 . . . . 71.02 108.257 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 90.2 m -84.18 138.8 32.8 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.336 -0.616 . . . . 73.32 109.336 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -72.58 109.91 6.58 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.121 -1.066 . . . . 72.34 108.121 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -84.3 -46.86 11.35 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.523 0.677 . . . . 74.01 109.971 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -155.28 166.97 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.441 -1.254 . . . . 61.23 109.938 -175.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.6 t -131.07 126.59 59.65 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 N-CA-C 107.126 -1.435 . . . . 72.42 107.126 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 104' ' ' ALA . 2.2 mm? -105.08 125.45 50.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.2 1.0 . . . . 55.34 110.086 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.06 122.61 6.79 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 110.564 -1.014 . . . . 74.11 110.564 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -142.9 -176.4 4.88 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.916 0.858 . . . . 72.04 110.3 -175.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -132.19 156.45 46.42 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.706 0.802 . . . . 53.41 109.317 174.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 tp -169.56 131.53 1.14 Allowed 'General case' 0 C--O 1.251 1.148 0 N-CA-C 108.73 -0.841 . . . . 74.21 108.73 -169.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.01 -102.86 1.2 Allowed Glycine 0 C--N 1.351 1.4 0 N-CA-C 112.106 -0.397 . . . . 34.03 112.106 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -124.46 -1.81 8.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.839 0.855 . . . . 74.45 110.401 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.1 m -130.01 157.18 43.06 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.977 0.894 . . . . 61.03 112.626 -168.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -94.89 119.77 34.0 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 114.032 -1.44 . . . . 72.31 108.264 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -118.97 155.98 30.4 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.61 0.764 . . . . 64.11 109.383 -172.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.4 m -128.11 131.37 49.02 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.019 0.528 . . . . 75.14 110.091 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 mp -121.55 132.02 54.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.104 1.361 . . . . 74.2 108.221 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.6 m -95.25 134.24 38.22 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.067 0.461 . . . . 73.33 110.19 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -98.53 121.87 41.02 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 124.416 1.086 . . . . 72.22 108.912 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -100.82 152.74 20.16 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.758 0.789 . . . . 72.24 112.061 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.436 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 42.0 ttt180 -95.37 118.58 32.36 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 125.781 1.632 . . . . 74.54 108.026 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.2 t -114.69 129.42 70.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 C-N-CA 124.242 1.017 . . . . 54.04 108.611 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -63.24 142.63 58.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.214 0.606 . . . . 65.31 110.807 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.18 -39.18 2.25 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-N 116.277 -0.42 . . . . 64.03 113.288 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -64.57 151.7 43.95 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.233 1.013 . . . . 71.24 110.525 176.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.7 t -109.54 -20.66 12.79 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.833 0.853 . . . . 72.52 109.469 -174.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.4 m -103.91 -179.15 3.87 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.193 0.997 . . . . 42.5 110.062 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.601 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 49.9 mt -102.95 134.89 45.63 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.459 -0.941 . . . . 71.44 108.459 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.48 108.14 20.08 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.09 -1.078 . . . . 73.51 108.09 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 104' ' ' ALA . 61.5 t -109.47 101.73 47.01 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.307 0.643 . . . . 44.34 109.848 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -90.29 123.07 1.01 Allowed 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 123.355 2.703 . . . . 63.32 110.939 167.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.446 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 19.8 p90 -146.46 170.93 15.84 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.466 0.706 . . . . 71.42 109.686 177.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.23 163.43 28.6 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.144 0.497 . . . . 72.11 110.716 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.583 ' HB2' ' H ' ' A' ' 122' ' ' THR . 1.5 m-20 -112.8 -170.73 1.73 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.543 1.137 . . . . 75.44 110.009 -176.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -79.62 -39.84 30.64 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.629 -1.169 . . . . 62.34 108.659 152.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 m -51.16 -42.03 60.55 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.829 1.652 . . . . 74.52 111.876 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.583 ' H ' ' HB2' ' A' ' 119' ' ' ASP . 40.9 p -63.39 -43.76 96.66 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.153 -0.93 . . . . 62.34 111.056 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.6 -20.72 66.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.103 0.961 . . . . 64.55 112.414 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.472 ' HB2' ' HG2' ' A' ' 126' ' ' ARG . 43.0 m-20 -81.54 -8.89 59.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.12 0.568 . . . . 70.11 111.954 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.1 -16.46 28.07 Favored Glycine 0 C--N 1.352 1.451 0 N-CA-C 114.284 0.474 . . . . 52.42 114.284 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.472 ' HG2' ' HB2' ' A' ' 124' ' ' ASP . 26.2 ptt180 -63.35 -21.85 66.52 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.862 0.865 . . . . 71.34 111.862 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 185' ' ' ARG . 26.9 p -133.44 159.42 40.41 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.679 -0.86 . . . . 73.54 108.679 165.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.75 96.15 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 126.534 1.934 . . . . 64.11 114.553 177.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.454 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 11.7 pt-20 -70.26 -20.75 63.04 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.38 1.072 . . . . 71.22 112.373 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -78.61 -8.19 58.38 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.269 0.628 . . . . 72.5 111.9 176.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 141.52 155.45 6.47 Favored Glycine 0 C--N 1.341 0.832 0 CA-C-N 116.784 -0.189 . . . . 53.3 112.803 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -109.4 145.13 36.63 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.498 1.119 . . . . 75.34 108.28 169.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -111.59 162.94 14.62 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.662 0.385 . . . . 74.03 110.199 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.446 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 1.6 tt -157.72 141.98 16.14 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 107.304 -1.369 . . . . 53.43 107.304 170.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.27 132.68 46.68 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.035 -1.098 . . . . 74.24 108.035 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.403 ' HB ' ' HB2' ' A' ' 113' ' ' LEU . 77.3 t -114.91 122.73 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 109.257 -0.646 . . . . 73.23 109.257 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.479 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 29.4 t70 -78.07 111.76 20.58 Favored Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 108.595 -0.891 . . . . 61.32 108.595 174.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.79 -38.03 25.4 Favored 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 122.481 2.121 . . . . 65.52 112.682 -177.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 55.69 28.96 12.89 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.31 1.044 . . . . 74.4 112.914 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 57.26 44.26 93.4 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 114.056 0.382 . . . . 53.55 114.056 -169.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.07 160.65 28.9 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.667 0.387 . . . . 64.15 110.785 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -138.3 171.67 14.04 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.225 0.61 . . . . 74.51 109.439 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.18 112.58 3.71 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 123.776 0.673 . . . . 65.21 112.28 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 114.44 -17.89 18.33 Favored Glycine 0 N--CA 1.467 0.747 0 CA-C-O 119.659 -0.523 . . . . 65.12 112.794 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -74.71 -179.65 4.26 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 109.29 -0.633 . . . . 71.44 109.29 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -133.84 160.67 36.94 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.108 0.48 . . . . 74.11 110.483 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.64 148.73 28.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 C-N-CA 124.51 1.124 . . . . 55.13 108.245 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.95 112.46 18.36 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.873 -0.417 . . . . 41.21 109.873 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.8 mt -96.59 88.72 4.75 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 124.035 0.934 . . . . 75.13 108.532 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 45.6 t0 -94.9 111.09 22.91 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.75 -0.833 . . . . 73.14 108.75 177.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.506 ' HB3' HG21 ' A' ' 180' ' ' ILE . 44.3 m-85 -72.31 -14.53 61.77 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.972 0.909 . . . . 74.4 111.651 -177.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -57.55 -35.24 70.07 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.801 0.841 . . . . 71.11 111.182 171.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.452 HD11 HG12 ' A' ' 19' ' ' ILE . 3.9 mm? -83.36 10.82 7.79 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.621 0.768 . . . . 74.51 112.403 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -61.64 137.06 58.22 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 112.866 0.691 . . . . 63.51 112.866 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -102.02 177.95 4.75 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 124.716 1.206 . . . . 72.31 111.43 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -133.92 139.37 33.17 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-N 114.033 -1.44 . . . . 73.22 111.458 -162.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.49 138.15 17.17 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 122.782 2.322 . . . . 70.22 110.979 163.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.11 -2.91 46.56 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.852 0.861 . . . . 73.33 111.482 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 26.6 m -61.64 -36.73 81.6 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.774 1.23 . . . . 73.03 112.407 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.87 -9.99 25.14 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.44 1.096 . . . . 61.52 113.307 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -91.89 14.16 16.4 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.312 1.045 . . . . 74.13 111.999 -170.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 108.91 7.05 29.69 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 119.947 -0.363 . . . . 75.5 113.836 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -166.16 118.91 0.83 Allowed Glycine 0 C--N 1.341 0.807 0 N-CA-C 110.63 -0.988 . . . . 60.02 110.63 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 61.6 p -62.46 112.72 2.57 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.492 0.717 . . . . 73.5 112.761 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -92.87 -175.67 3.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.652 0.781 . . . . 62.43 109.462 170.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 23.2 t -90.23 93.39 9.33 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.677 -0.49 . . . . 70.13 109.677 -176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 18.6 p -124.27 135.57 53.5 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 108.283 -1.006 . . . . 75.2 108.283 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.08 119.7 17.68 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.905 0.882 . . . . 75.4 110.614 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.16 126.82 79.06 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.285 1.034 . . . . 62.03 109.365 171.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -63.02 144.88 93.79 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.449 2.099 . . . . 63.42 111.586 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.09 156.13 67.7 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 121.962 1.775 . . . . 75.03 111.457 174.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -55.39 -30.22 59.97 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.002 0.921 . . . . 71.53 113.156 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.17 -23.04 62.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.093 0.557 . . . . 74.11 111.728 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -100.43 11.38 39.57 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.173 0.511 . . . . 75.24 110.618 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -82.72 99.81 9.86 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 107.052 -1.462 . . . . 75.42 107.052 170.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.58 117.02 63.96 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 123.984 0.913 . . . . 62.54 109.895 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -70.53 64.16 2.25 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.995 2.464 . . . . 72.31 112.345 165.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -153.88 147.55 25.23 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 124.586 1.154 . . . . 74.03 108.282 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -94.79 109.77 21.7 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.73 -0.47 . . . . 64.24 109.73 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.4 mp -95.19 101.86 12.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 107.33 -1.359 . . . . 63.33 107.33 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 41.3 p -92.06 62.26 4.17 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.995 0.903 . . . . 74.51 109.359 176.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -164.79 116.39 1.21 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.218 -1.355 . . . . 73.51 107.35 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 169.65 -156.16 26.83 Favored Glycine 0 C--O 1.241 0.531 0 N-CA-C 109.93 -1.268 . . . . 63.32 109.93 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -88.22 140.79 29.12 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.844 -0.799 . . . . 72.13 108.844 155.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.45 ' HA ' HG22 ' A' ' 127' ' ' THR . 14.0 ttm180 -96.41 160.82 14.21 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.265 -1.013 . . . . 64.31 108.265 177.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.482 HG11 ' HG2' ' A' ' 191' ' ' GLU . 53.2 t -132.35 159.95 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 107.793 -1.188 . . . . 53.32 107.793 175.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -76.08 132.3 39.99 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.187 -0.672 . . . . 74.14 109.187 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -67.82 5.71 0.82 Allowed 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.919 0.888 . . . . 65.42 112.699 166.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -96.62 -41.15 8.67 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.967 0.907 . . . . 71.0 109.92 168.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.62 -53.9 14.1 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.733 0.813 . . . . 73.23 110.05 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' GLU . . . . . 0.482 ' HG2' HG11 ' A' ' 186' ' ' VAL . 5.6 mm-40 . . . . . 0 C--O 1.253 1.255 0 N-CA-C 108.681 -0.859 . . . . 52.11 108.681 171.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.46 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 107.256 -1.387 . . . . 75.1 107.256 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t -66.77 -45.14 55.17 Favored Pre-proline 0 CA--C 1.564 1.487 0 N-CA-C 109.439 -0.578 . . . . 71.42 109.439 165.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -69.36 159.42 53.79 Favored 'Trans proline' 0 C--N 1.395 2.993 0 C-N-CA 121.87 1.714 . . . . 64.21 111.137 158.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.7 tt -67.39 135.4 93.19 Favored Pre-proline 0 CA--C 1.566 1.578 0 C-N-CA 122.803 0.441 . . . . 65.04 110.649 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.525 ' HG3' ' HA ' ' A' ' 141' ' ' ALA . 98.6 Cg_endo -82.49 139.45 10.22 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 123.684 2.923 . . . . 70.53 111.021 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -178.01 -48.73 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.967 1.307 . . . . 63.02 108.153 -173.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -83.48 31.24 0.52 Allowed 'Trans proline' 0 C--N 1.396 3.03 0 C-N-CA 122.101 1.867 . . . . 71.21 111.893 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.5 m -61.7 -29.08 45.44 Favored 'Isoleucine or valine' 0 C--N 1.359 1.018 0 C-N-CA 124.256 1.022 . . . . 70.44 109.41 171.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 t -93.16 72.18 4.59 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 114.63 -1.168 . . . . 75.1 108.069 166.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -43.01 175.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 125.801 1.64 . . . . 72.31 114.585 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -49.8 139.49 13.12 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 118.505 -0.759 . . . . 72.4 109.919 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -45.52 -34.11 3.09 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 113.457 0.91 . . . . 71.01 113.457 -165.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.09 -57.52 12.49 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.604 0.761 . . . . 72.42 111.274 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -70.24 -33.96 72.27 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.533 0.733 . . . . 74.33 111.608 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -62.19 -53.92 48.33 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.07 0.948 . . . . 75.52 109.447 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HG2' HG21 ' A' ' 54' ' ' ILE . 55.9 mtt180 -69.61 -23.19 63.48 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.658 0.598 . . . . 74.51 111.755 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -43.96 77.04 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 122.884 0.473 . . . . 55.52 112.156 170.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 31.7 mmt180 -63.01 -41.27 99.52 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 109.56 -0.533 . . . . 75.12 109.56 175.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.839 HG23 HD11 ' A' ' 153' ' ' LEU . 85.8 mt -60.78 -44.13 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 124.615 1.166 . . . . 75.52 110.965 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.41 -43.27 93.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.339 0.656 . . . . 70.13 110.924 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.81 -34.7 75.95 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.715 0.634 . . . . 71.33 110.959 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 6.5 t-160 -62.38 -55.43 27.97 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.63 1.172 . . . . 73.2 110.164 176.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.417 ' HD2' HG22 ' A' ' 19' ' ' ILE . 49.0 mtp180 -61.12 -48.27 82.42 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.894 0.877 . . . . 75.32 109.871 -177.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.37 88.54 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 115.25 -0.887 . . . . 72.45 111.306 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.11 -48.4 81.86 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.016 0.822 . . . . 73.11 110.933 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 65.8 mmtt -71.66 -24.69 61.89 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.393 0.433 . . . . 73.44 111.601 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.622 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -73.0 -47.94 40.7 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.265 0.626 . . . . 71.24 111.262 172.646 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.42 ' HA ' ' HB3' ' A' ' 31' ' ' ALA . 13.1 pt-20 -80.38 -12.87 59.53 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.981 0.512 . . . . 71.21 111.478 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 33' ' ' HIS . 83.9 t80 -53.88 -51.63 63.07 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.889 0.876 . . . . 64.45 111.781 177.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.725 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -86.02 -15.85 40.09 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.851 -0.613 . . . . 53.24 112.453 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 28' ' ' GLU . . . -87.38 -56.91 3.15 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.026 0.53 . . . . 71.41 111.549 -171.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.8 t -116.61 -46.31 2.77 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.166 0.587 . . . . 72.12 111.452 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 29' ' ' PHE . 15.5 m170 -47.63 117.66 1.92 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.771 0.828 . . . . 72.24 111.489 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.1 -19.19 4.56 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.897 1.679 . . . . 72.11 114.054 -175.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -60.52 -34.99 74.91 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.174 0.99 . . . . 72.24 113.343 -175.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.585 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 50.1 m -159.43 103.15 1.5 Allowed Pre-proline 0 CA--C 1.547 0.86 0 N-CA-C 108.433 -0.951 . . . . 75.34 108.433 -174.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -74.89 145.76 32.3 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 122.204 1.936 . . . . 64.31 112.421 170.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 tt -88.55 140.65 29.96 Favored Pre-proline 0 CA--C 1.561 1.371 0 N-CA-C 108.639 -0.874 . . . . 75.53 108.639 173.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.39 147.6 56.12 Favored 'Trans proline' 0 C--N 1.383 2.369 0 C-N-CA 122.594 2.196 . . . . 71.51 112.489 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -61.27 -25.68 80.85 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.853 2.369 . . . . 72.24 112.744 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.85 -49.83 74.68 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.447 0.699 . . . . 54.45 111.105 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -77.51 -27.92 51.93 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.349 0.66 . . . . 54.51 110.422 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -64.35 -29.06 70.15 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.742 -0.663 . . . . 65.51 111.123 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.39 -38.65 91.33 Favored Glycine 0 C--N 1.348 1.245 0 N-CA-C 111.442 -0.663 . . . . 75.15 111.442 170.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.51 1.17 30.52 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.955 0.902 . . . . 52.5 112.841 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -78.96 104.35 9.54 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.468 0.651 . . . . 75.23 110.142 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -115.29 -0.0 13.34 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.448 -0.945 . . . . 75.32 108.448 164.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.14 139.14 4.37 Favored Glycine 0 C--N 1.339 0.712 0 N-CA-C 108.742 -1.743 . . . . 74.11 108.742 -166.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.646 HD21 HD21 ' A' ' 30' ' ' LEU . 2.2 mm? -82.36 179.7 7.71 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 109.142 -0.688 . . . . 61.23 109.142 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HG3' ' HA ' ' A' ' 186' ' ' VAL . 17.3 mmt180 -72.79 110.38 7.08 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.743 -1.206 . . . . 64.04 107.743 178.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -111.97 112.97 25.0 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.859 -1.163 . . . . 73.14 107.859 -171.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' HA ' ' H ' ' A' ' 184' ' ' GLU . 8.2 m-85 -74.38 125.72 29.12 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.089 -0.96 . . . . 73.04 109.356 -171.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' H ' ' HA2' ' A' ' 183' ' ' GLY . 14.2 t70 -90.78 166.65 12.99 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.15 -0.932 . . . . 73.43 110.352 -166.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.475 HD12 HG21 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -69.4 148.97 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 123.654 0.596 . . . . 75.45 110.553 -169.384 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -163.2 109.48 1.15 Allowed 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.76 0.662 . . . . 43.42 109.593 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.56 -22.84 62.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.482 0.713 . . . . 45.41 111.719 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -82.54 -35.68 27.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.289 0.636 . . . . 42.01 110.45 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -85.94 6.38 28.79 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.578 0.751 . . . . 74.45 111.228 173.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -97.13 100.72 12.2 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 106.108 -1.812 . . . . 72.12 106.108 166.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.1 m -101.36 167.75 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 108.984 -0.747 . . . . 74.14 108.984 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.75 115.42 30.11 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.764 -1.199 . . . . 72.12 107.764 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.32 146.59 34.1 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.651 0.78 . . . . 73.53 109.162 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -74.23 118.99 17.83 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.921 -0.77 . . . . 75.45 108.921 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -78.95 106.23 10.84 Favored 'General case' 0 C--O 1.25 1.101 0 N-CA-C 108.643 -0.873 . . . . 73.14 108.643 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -110.83 97.52 34.0 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 107.843 -1.169 . . . . 65.33 107.843 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.668 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 56.1 Cg_endo -66.67 154.67 73.61 Favored 'Trans proline' 0 C--N 1.362 1.257 0 C-N-CA 122.645 2.23 . . . . 70.51 111.477 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.56 112.49 5.39 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 106.69 -1.596 . . . . 61.53 106.69 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -61.47 -16.28 45.57 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.401 0.68 . . . . 64.22 111.865 -171.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -142.97 90.69 7.41 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 107.662 -1.236 . . . . 74.12 107.662 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -62.73 129.14 25.29 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.692 2.261 . . . . 64.41 112.012 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -138.84 160.01 40.75 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.464 0.305 . . . . 73.11 111.634 -168.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.37 108.07 5.29 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.202 -0.908 . . . . 71.53 111.279 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.4 m -106.51 153.68 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.061 0.945 . . . . 74.44 108.718 172.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.76 127.7 53.61 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.203 0.601 . . . . 73.43 109.522 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.421 HD23 ' HD1' ' A' ' 85' ' ' TYR . 2.6 mm? -110.65 118.23 35.63 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.174 -1.047 . . . . 74.1 108.174 174.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -68.26 150.99 47.59 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.776 -0.824 . . . . 64.24 108.776 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.5 p -127.7 167.32 16.61 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.145 -0.687 . . . . 73.54 109.145 -174.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.427 HG23 HD21 ' A' ' 169' ' ' LEU . 19.3 p -87.75 -27.9 22.07 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.645 0.778 . . . . 72.44 110.791 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -72.14 -31.92 66.43 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.914 0.886 . . . . 75.42 111.628 -175.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.58 -123.31 1.19 Allowed Glycine 0 C--N 1.347 1.16 0 CA-C-O 118.382 -1.232 . . . . 62.53 112.075 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.96 149.69 77.45 Favored 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 123.72 2.947 . . . . 74.32 113.833 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.2 158.69 56.4 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.647 2.231 . . . . 74.32 112.72 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -114.05 124.86 53.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.14 0.976 . . . . 74.33 110.13 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -84.91 126.28 33.36 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.76 0.424 . . . . 75.22 110.915 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.537 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 81.0 m-85 -130.07 148.66 51.94 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.452 -0.944 . . . . 74.14 108.452 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.637 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 9.4 m -87.7 114.41 24.28 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 118.274 -0.869 . . . . 63.21 109.304 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -66.52 111.19 3.47 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 119.967 1.258 . . . . 73.22 109.222 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -97.09 -33.15 11.63 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.522 0.729 . . . . 63.51 111.328 -172.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.668 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -153.93 170.13 21.77 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.48 0.548 . . . . 75.32 112.48 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.531 HG12 HG22 ' A' ' 101' ' ' THR . 0.2 OUTLIER -139.16 124.81 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 N-CA-C 106.298 -1.741 . . . . 72.4 106.298 168.576 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 101' ' ' THR . 2.7 mm? -100.83 121.1 41.12 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.305 0.642 . . . . 74.41 110.516 -173.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.17 117.44 5.87 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 111.679 -0.568 . . . . 71.44 111.679 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.657 ' HE2' ' HB2' ' A' ' 102' ' ' LEU . 48.1 p90 -144.54 -174.11 4.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.773 0.829 . . . . 73.55 109.206 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 9.1 p-10 -132.25 145.38 51.27 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.883 0.873 . . . . 74.12 109.497 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.512 HD13 HD11 ' A' ' 180' ' ' ILE . 29.1 mt -154.77 129.95 9.62 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.65 1.18 . . . . 74.42 108.907 178.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.07 -107.03 1.77 Allowed Glycine 0 C--N 1.348 1.244 0 O-C-N 123.248 0.343 . . . . 64.23 112.95 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -103.81 -17.96 14.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.096 0.959 . . . . 74.25 111.438 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.6 m -120.51 139.7 52.52 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.457 0.54 . . . . 44.43 112.457 -165.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 9.0 p80 -83.77 129.66 34.94 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 106.809 -1.552 . . . . 71.31 106.809 163.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -133.45 147.96 51.72 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.82 0.448 . . . . 65.23 109.811 -170.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.531 HG22 HG12 ' A' ' 90' ' ' VAL . 2.4 m -121.55 122.23 39.21 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 108.042 -1.096 . . . . 74.21 108.042 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.657 ' HB2' ' HE2' ' A' ' 93' ' ' PHE . 10.2 tp -112.31 127.56 56.03 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.056 0.942 . . . . 72.23 109.136 -165.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.9 m -84.82 122.83 29.71 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.287 0.494 . . . . 62.12 110.535 -170.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.569 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -103.01 123.4 46.55 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.685 1.194 . . . . 51.31 109.279 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 34.2 m-85 -99.16 171.16 8.18 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 123.653 0.781 . . . . 74.31 109.586 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.637 ' HB3' ' HB ' ' A' ' 86' ' ' THR . 33.0 ttm180 -117.96 125.75 51.01 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 124.41 1.084 . . . . 72.51 108.439 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.632 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 21.4 t -98.78 121.19 49.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 107.752 -1.203 . . . . 71.1 107.752 173.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.29 126.96 29.8 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 123.69 0.619 . . . . 71.1 110.316 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.3 -27.61 8.31 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 116.125 -0.489 . . . . 71.21 113.106 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.632 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 10.7 tp10 -96.78 122.76 40.09 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.333 0.653 . . . . 73.22 109.713 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.1 m -67.58 -17.53 64.66 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.178 0.991 . . . . 72.13 112.851 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.456 ' HB3' ' HB2' ' A' ' 135' ' ' ASP . 73.2 m -93.69 147.6 22.88 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.531 0.681 . . . . 52.01 111.417 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 78.9 mt -84.66 132.72 34.45 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.128 1.371 . . . . 75.25 109.974 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.37 112.63 23.1 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.037 -1.098 . . . . 74.3 108.037 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 104' ' ' ALA . 14.9 t -118.65 86.28 29.12 Favored Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 123.306 0.642 . . . . 64.43 109.437 177.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -75.54 122.57 7.02 Favored 'Trans proline' 0 C--N 1.367 1.545 0 C-N-CA 121.682 1.588 . . . . 75.21 109.01 166.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -140.64 172.96 11.97 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.618 0.367 . . . . 50.31 110.615 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.457 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.9 p -133.83 164.14 27.93 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.56 0.744 . . . . 74.41 109.62 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.455 ' HB3' HD13 ' A' ' 180' ' ' ILE . 1.2 p30 -151.62 -179.27 7.27 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.915 0.886 . . . . 74.12 110.382 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -66.35 -25.9 67.03 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.871 0.367 . . . . 71.34 110.722 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.535 HG21 ' HB ' ' A' ' 181' ' ' THR . 11.2 m -75.47 -28.01 59.08 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.31 1.044 . . . . 74.45 111.224 -176.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.63 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 73.0 p -68.35 -36.8 79.77 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 120.882 0.372 . . . . 65.4 110.133 175.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.81 -34.63 78.24 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.406 -0.815 . . . . 72.11 110.967 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.37 -15.24 58.2 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.219 0.608 . . . . 73.13 110.95 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.48 32.32 25.32 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 116.389 -0.369 . . . . 75.44 113.206 177.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.464 ' HB2' HG22 ' A' ' 121' ' ' THR . 34.2 mmt-85 -104.51 -45.46 4.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.04 -0.726 . . . . 74.52 109.04 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.2 p -101.83 163.42 12.26 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 108.216 -1.031 . . . . 44.12 108.216 161.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -72.99 126.49 30.06 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.421 0.288 . . . . 72.21 111.556 -168.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.63 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 10.2 pt-20 -64.67 -37.73 88.58 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 114.08 1.141 . . . . 55.12 114.08 -168.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -72.68 -9.93 59.2 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.661 0.385 . . . . 64.43 111.77 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.62 168.9 12.92 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 111.458 -0.657 . . . . 52.41 111.458 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -140.19 143.45 36.09 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.472 0.709 . . . . 63.22 109.107 167.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -91.56 137.4 32.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.834 0.454 . . . . 73.43 110.257 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.469 HD22 HG22 ' A' ' 136' ' ' VAL . 2.5 tt -133.61 119.26 19.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.469 -2.049 . . . . 63.34 105.469 168.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.534 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 3.4 p-10 -102.79 110.72 22.74 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.625 0.726 . . . . 72.52 109.261 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.469 HG22 HD22 ' A' ' 134' ' ' LEU . 39.3 t -95.75 134.01 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 114.638 -1.165 . . . . 73.33 110.258 -171.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.53 114.64 49.26 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 108.978 -0.749 . . . . 71.45 108.978 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.56 -34.73 8.93 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.355 2.037 . . . . 65.01 111.763 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 50.36 44.04 26.68 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.233 1.013 . . . . 45.35 112.236 -175.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.8 46.6 54.47 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 115.563 -0.744 . . . . 73.34 114.488 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.525 ' HA ' ' HG3' ' A' ' 5' ' ' PRO . . . -76.21 165.17 25.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.509 0.559 . . . . 72.31 112.509 177.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -141.12 169.83 16.87 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.39 0.676 . . . . 73.25 110.355 -174.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 66' ' ' PRO . . . -60.23 112.6 4.63 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 124.0 0.809 . . . . 71.5 114.183 -173.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 99.73 3.67 56.04 Favored Glycine 0 C--N 1.339 0.701 0 O-C-N 124.17 0.571 . . . . 64.02 113.129 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -84.44 -175.46 5.8 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 108.829 -0.804 . . . . 73.25 108.829 166.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -137.7 150.59 47.45 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.306 0.574 . . . . 75.41 110.97 173.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.78 160.39 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.501 1.12 . . . . 74.41 109.286 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.9 114.93 20.84 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 123.04 0.536 . . . . 74.13 110.69 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.31 87.54 5.67 Favored 'General case' 0 C--O 1.246 0.902 0 C-N-CA 123.917 0.887 . . . . 74.31 109.113 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.536 ' HB3' HD23 ' A' ' 153' ' ' LEU . 4.3 m-20 -74.85 93.81 2.69 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.804 -1.089 . . . . 62.14 109.792 169.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.559 ' HB3' HG21 ' A' ' 180' ' ' ILE . 26.4 m-85 -71.86 -18.61 62.05 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.219 0.608 . . . . 75.12 110.843 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -75.63 -4.56 40.84 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.051 0.94 . . . . 71.14 111.32 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.839 HD11 HG23 ' A' ' 19' ' ' ILE . 4.1 mm? -105.55 5.06 31.06 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.093 0.957 . . . . 65.44 111.592 172.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -81.62 106.1 13.29 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.731 -0.47 . . . . 74.5 109.731 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -100.44 176.71 5.26 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.147 0.979 . . . . 74.31 110.162 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -94.9 151.99 39.33 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 122.977 0.511 . . . . 74.01 110.203 -174.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -59.47 149.07 84.09 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 123.296 2.664 . . . . 74.31 112.957 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -80.53 -18.45 48.44 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.488 -0.778 . . . . 73.31 111.325 -177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 43.6 t -59.35 -23.83 62.85 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.429 0.692 . . . . 73.13 111.323 172.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -56.28 -27.5 55.56 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 123.807 0.843 . . . . 74.11 112.269 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -85.55 19.12 2.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.302 0.641 . . . . 72.51 110.943 -172.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 102.92 -62.11 0.46 Allowed Glycine 0 C--N 1.348 1.215 0 O-C-N 122.282 -0.261 . . . . 71.13 112.78 163.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.55 30.37 2.31 Favored Glycine 0 N--CA 1.47 0.928 0 N-CA-C 113.66 0.224 . . . . 74.41 113.66 -175.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 18.7 t -81.46 -178.84 7.12 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 109.28 -0.637 . . . . 43.55 109.28 168.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -77.56 -174.16 3.27 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 113.23 0.826 . . . . 71.24 113.23 -170.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 93.6 p -67.43 146.15 54.31 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.657 1.183 . . . . 73.03 113.165 -167.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.9 p -118.64 125.29 49.43 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.825 -0.806 . . . . 64.11 108.825 173.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -69.51 106.41 2.98 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.76 0.824 . . . . 52.11 109.646 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.427 HD21 HG23 ' A' ' 78' ' ' THR . 89.7 mt -64.16 127.52 92.04 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.384 0.674 . . . . 74.41 109.547 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.457 ' HG3' HG23 ' A' ' 118' ' ' THR . 20.5 Cg_endo -59.64 140.3 93.04 Favored 'Trans proline' 0 C--N 1.373 1.848 0 C-N-CA 123.179 2.586 . . . . 53.44 112.562 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.42 162.5 23.76 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.046 1.831 . . . . 75.3 111.305 166.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -54.7 -30.68 56.48 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.401 0.68 . . . . 71.51 111.71 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.29 -22.24 66.88 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.619 1.168 . . . . 72.03 112.065 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.5 ' HA ' HD12 ' A' ' 102' ' ' LEU . 3.7 m-20 -102.36 6.02 40.09 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.58 0.752 . . . . 72.12 111.73 -177.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -84.93 102.16 12.91 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.199 -0.667 . . . . 65.41 109.199 171.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 32.3 t -76.49 126.77 85.79 Favored Pre-proline 0 CA--C 1.55 0.947 0 N-CA-C 108.729 -0.841 . . . . 74.12 108.729 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -81.61 32.07 0.52 Allowed 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.046 2.498 . . . . 71.22 112.93 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -134.25 151.88 51.52 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.285 1.034 . . . . 63.13 108.683 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.93 123.16 29.15 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.219 0.608 . . . . 44.31 109.929 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.3 mp -114.45 104.35 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 107.253 -1.388 . . . . 74.24 107.253 173.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' THR . . . . . 0.535 ' HB ' HG21 ' A' ' 121' ' ' THR . 1.3 t -132.9 94.94 3.47 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.472 0.653 . . . . 61.12 110.423 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -152.2 115.04 4.61 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 106.599 -1.63 . . . . 73.51 106.599 165.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' A' ' 52' ' ' PHE . . . 167.69 -156.56 28.31 Favored Glycine 0 N--CA 1.446 -0.656 0 O-C-N 123.749 0.655 . . . . 71.23 111.786 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 184' ' ' GLU . . . . . 0.486 ' H ' ' HA ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -85.82 148.26 25.91 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 107.328 -1.36 . . . . 75.51 107.328 157.138 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -60.55 154.41 21.06 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.351 0.661 . . . . 74.54 109.744 172.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.404 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 99.1 t -101.82 138.91 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 107.723 -1.214 . . . . 75.12 107.723 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -44.05 107.04 0.08 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.934 1.294 . . . . 62.34 113.065 -170.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -58.73 -10.71 2.5 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.389 1.076 . . . . 63.11 113.25 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.39 -41.84 84.31 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.398 0.679 . . . . 63.23 110.334 169.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.14 -44.76 10.09 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.689 0.795 . . . . 73.01 110.513 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 . . . . . 0 C--O 1.249 1.069 0 C-N-CA 124.38 1.072 . . . . 63.12 110.206 177.229 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.567 ' HB2' ' HA3' ' A' ' 140' ' ' GLY . 27.0 ttt . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 109.345 -0.613 . . . . 72.02 109.345 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.474 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 31.0 m -73.78 -51.16 5.31 Favored Pre-proline 0 CA--C 1.562 1.43 0 CA-C-O 118.75 -0.643 . . . . 65.11 109.698 172.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 2' ' ' SER . 47.7 Cg_endo -95.5 -177.75 0.44 Allowed 'Trans proline' 0 C--N 1.398 3.167 0 C-N-CA 122.472 2.114 . . . . 73.55 110.457 159.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.437 HG13 ' HD2' ' A' ' 5' ' ' PRO . 2.8 tp -77.99 140.1 61.94 Favored Pre-proline 0 CA--C 1.562 1.43 0 N-CA-C 107.296 -1.372 . . . . 75.54 107.296 169.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 4' ' ' ILE . 57.0 Cg_endo -72.11 128.28 13.74 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 121.358 1.372 . . . . 73.21 110.882 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mt 179.6 -53.28 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 125.555 1.542 . . . . 64.01 107.85 -176.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -81.12 37.35 0.68 Allowed 'Trans proline' 0 C--N 1.405 3.531 0 C-N-CA 122.16 1.906 . . . . 62.12 112.423 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 137' ' ' ASP . 32.9 m -64.93 -32.21 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 N-CA-C 108.424 -0.954 . . . . 71.22 108.424 164.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -93.27 97.56 10.7 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 105.435 -2.061 . . . . 72.42 105.435 159.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -83.34 -164.23 0.86 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.664 -1.273 . . . . 65.34 111.475 -164.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t -48.03 122.86 5.52 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.726 1.21 . . . . 74.01 110.522 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.557 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 4.9 p-10 -56.71 -22.67 36.77 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 115.11 1.522 . . . . 65.23 115.11 -160.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -68.63 -50.45 51.26 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.22 0.464 . . . . 74.41 110.95 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.27 -23.59 51.17 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.132 0.573 . . . . 65.01 111.04 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' O ' HG13 ' A' ' 19' ' ' ILE . 27.7 t90 -69.92 -46.01 66.29 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 108.963 -0.754 . . . . 63.34 108.963 173.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -69.48 -30.95 68.95 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.037 0.535 . . . . 71.45 110.714 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.98 89.43 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.116 0.566 . . . . 70.43 110.771 168.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -64.69 -38.96 92.77 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 122.952 0.501 . . . . 63.4 110.724 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.575 HG12 HD11 ' A' ' 153' ' ' LEU . 27.9 mt -65.03 -49.95 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 109.493 -0.558 . . . . 62.22 109.493 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.45 94.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.679 -1.146 . . . . 71.2 111.24 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.89 50.9 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.49 0.716 . . . . 64.21 112.03 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -62.47 -47.47 83.89 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.574 0.75 . . . . 74.54 109.227 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -61.35 -45.27 95.09 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.852 0.72 . . . . 75.5 110.379 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.8 -42.05 88.17 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.706 0.629 . . . . 75.54 110.577 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.79 -50.53 66.4 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 124.299 0.999 . . . . 63.34 110.073 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 16.0 mmmt -72.96 -17.74 61.44 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 123.518 0.511 . . . . 70.15 111.192 -174.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -80.73 -48.65 12.24 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.116 0.966 . . . . 63.34 109.929 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.74 -15.25 58.67 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.605 -0.725 . . . . 70.24 110.449 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -50.35 -53.47 28.75 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.188 1.395 . . . . 71.25 112.161 -176.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.695 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -82.52 -17.43 45.05 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.389 -0.823 . . . . 63.34 111.331 -174.279 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.05 -32.35 21.46 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.293 0.637 . . . . 72.04 111.424 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.1 p -126.57 -60.08 1.26 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.092 0.557 . . . . 75.52 111.704 -176.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -55.77 124.08 16.32 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 123.942 0.776 . . . . 72.3 111.21 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.29 -17.76 64.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.574 1.15 . . . . 73.54 113.082 -168.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.24 -27.5 69.39 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.503 0.927 . . . . 74.44 113.503 -171.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.2 m -155.9 76.01 4.84 Favored Pre-proline 0 N--CA 1.483 1.179 0 O-C-N 121.969 -0.457 . . . . 62.0 110.064 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -65.14 130.4 25.52 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.562 2.175 . . . . 73.31 112.725 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.695 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 17.3 tt -72.56 144.78 86.68 Favored Pre-proline 0 N--CA 1.488 1.465 0 C-N-CA 124.814 1.246 . . . . 62.33 109.406 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -36.87 124.77 0.42 Allowed 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 123.576 2.851 . . . . 73.14 113.906 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.53 -28.62 65.62 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.745 2.963 . . . . 73.11 114.271 -171.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.73 92.92 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.852 0.461 . . . . 74.41 111.0 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -76.51 -37.09 57.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.197 0.599 . . . . 62.42 109.923 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.501 ' HB2' HG23 ' A' ' 38' ' ' ILE . 76.3 ttt180 -64.19 -31.26 72.39 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.459 0.704 . . . . 72.22 111.706 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.3 -44.95 96.94 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 112.241 -0.344 . . . . 43.12 112.241 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.63 22.38 3.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.904 0.881 . . . . 73.3 112.009 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.31 124.96 29.79 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 109.436 -0.579 . . . . 72.11 109.436 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -124.53 -32.01 3.18 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.372 1.069 . . . . 64.41 108.66 166.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.26 117.8 0.84 Allowed Glycine 0 C--N 1.338 0.676 0 N-CA-C 108.773 -1.731 . . . . 60.41 108.773 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.78 -175.93 1.21 Allowed 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.653 0.74 . . . . 62.41 111.622 -174.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.489 ' HD3' ' H ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -101.04 153.53 19.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.205 -0.907 . . . . 74.1 110.326 -168.535 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -153.39 128.64 9.79 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.865 0.866 . . . . 65.24 109.034 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' HD2' ' H ' ' A' ' 183' ' ' GLY . 64.8 m-85 -58.9 153.63 16.88 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.418 0.687 . . . . 51.04 111.674 175.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -74.29 158.69 33.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.216 0.606 . . . . 62.21 111.205 -176.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.565 HD12 HG21 ' A' ' 19' ' ' ILE . 13.4 mm -71.28 114.56 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.273 -0.876 . . . . 74.53 110.482 -170.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -115.12 113.96 24.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.355 0.662 . . . . 70.23 109.229 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.57 -6.37 43.59 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.785 0.834 . . . . 74.43 110.878 171.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.5 m -65.87 -36.82 84.5 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.537 1.135 . . . . 63.24 111.294 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 89.9 m-85 -85.13 7.31 22.17 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.011 0.924 . . . . 74.41 112.39 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 55.8 ttp180 -96.93 93.3 6.55 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.344 -0.984 . . . . 74.24 108.344 178.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.01 161.54 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 109.593 -0.521 . . . . 74.13 109.593 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.33 127.77 46.55 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.157 -1.053 . . . . 74.14 108.157 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.52 137.99 52.19 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.138 0.975 . . . . 64.34 109.277 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 92' ' ' GLY . 8.5 ptp85 -75.25 125.17 28.41 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 109.416 -0.586 . . . . 72.22 109.416 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -85.96 127.85 34.72 Favored 'General case' 0 C--O 1.251 1.147 0 C-N-CA 124.572 1.149 . . . . 73.15 109.273 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 24.2 tt0 -132.99 109.81 12.91 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 108.418 -0.956 . . . . 73.22 108.418 169.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.68 149.74 83.79 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.105 1.87 . . . . 74.44 110.201 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 110.99 2.48 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.515 -0.55 . . . . 74.24 109.515 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -56.65 -23.17 39.59 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.829 0.852 . . . . 42.21 112.644 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -141.56 97.72 6.63 Favored Pre-proline 0 CA--C 1.547 0.838 0 N-CA-C 109.037 -0.727 . . . . 54.22 109.037 163.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -66.11 121.25 8.53 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.373 2.048 . . . . 71.31 111.012 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -129.23 145.33 51.36 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.472 0.709 . . . . 74.53 110.722 -172.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.28 108.38 15.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.608 0.763 . . . . 41.53 109.643 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 19.5 m -106.78 160.39 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.517 1.127 . . . . 61.11 109.712 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -108.19 113.15 26.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.228 0.611 . . . . 61.03 109.411 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -98.91 128.0 44.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.101 -1.444 . . . . 73.14 107.101 174.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -60.8 144.21 53.02 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.122 -0.696 . . . . 71.12 109.122 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.4 p -116.62 164.28 14.84 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 118.388 0.54 . . . . 72.05 110.459 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.1 p -82.0 -23.96 35.7 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.939 0.896 . . . . 44.22 110.701 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -73.1 -31.07 64.1 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.443 0.697 . . . . 70.43 111.796 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.58 -121.4 1.28 Allowed Glycine 0 C--N 1.342 0.881 0 CA-C-O 118.62 -1.1 . . . . 34.5 111.558 -173.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 12.6 Cg_endo -52.26 141.86 48.19 Favored 'Trans proline' 0 C--N 1.385 2.49 0 C-N-CA 124.144 3.229 . . . . 75.32 113.676 -175.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 29.3 Cg_exo -61.65 149.55 89.39 Favored 'Trans proline' 0 C--N 1.384 2.423 0 C-N-CA 123.001 2.468 . . . . 72.43 112.975 -178.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.97 138.3 43.39 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.327 1.051 . . . . 71.22 109.956 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 9.5 pt-20 -85.18 124.02 31.35 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.626 0.579 . . . . 72.42 110.312 177.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.512 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.4 m-85 -128.95 134.36 48.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.346 1.058 . . . . 75.45 108.985 174.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.5 m -85.04 129.85 34.72 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.204 -0.665 . . . . 71.45 109.204 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -68.28 110.18 3.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.964 0.505 . . . . 63.42 109.869 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.41 -50.93 8.87 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 123.419 0.688 . . . . 70.21 111.067 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.87 175.58 13.76 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.88 -1.054 . . . . 73.2 110.48 -172.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.3 t -135.98 124.01 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 125.751 1.62 . . . . 60.42 107.027 172.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.73 135.26 44.7 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.894 0.877 . . . . 74.25 109.709 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 63' ' ' ARG . . . -120.55 139.46 13.6 Favored Glycine 0 N--CA 1.469 0.856 0 N-CA-C 110.884 -0.886 . . . . 72.53 110.884 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.406 ' HE2' HD12 ' A' ' 95' ' ' LEU . 25.8 p90 -163.73 156.19 17.71 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.786 0.793 . . . . 72.12 110.117 -175.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -93.44 158.31 15.78 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 109.426 -0.583 . . . . 74.51 109.426 172.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.406 HD12 ' HE2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -163.65 132.03 3.72 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 106.254 -1.758 . . . . 74.13 106.254 178.655 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.92 -101.63 1.58 Allowed Glycine 0 C--N 1.351 1.376 0 N-CA-C 111.215 -0.754 . . . . 62.45 111.215 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -131.86 7.21 4.37 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.278 1.031 . . . . 55.13 109.488 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 m -131.84 151.68 51.52 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 121.194 0.521 . . . . 73.31 112.179 -163.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -90.64 138.53 31.5 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.106 -0.952 . . . . 72.32 109.024 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -137.12 137.58 39.41 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.639 1.175 . . . . 72.33 109.314 -171.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.4 m -129.11 121.87 28.7 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.106 0.562 . . . . 44.53 109.52 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.417 ' HA ' ' ND2' ' A' ' 174' ' ' ASN . 6.1 mp -113.44 143.65 44.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.101 1.36 . . . . 72.44 109.093 -176.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.7 m -97.22 132.48 42.94 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 121.057 0.456 . . . . 51.0 109.939 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.93 126.53 47.57 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.739 1.215 . . . . 60.51 108.763 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.512 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 52.0 m-85 -101.75 168.4 9.47 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 123.81 0.844 . . . . 41.5 109.627 175.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.463 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 39.4 ttm180 -113.09 117.55 32.28 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.47 1.108 . . . . 70.23 108.786 -172.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -103.58 108.4 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.811 -1.551 . . . . 74.52 106.811 171.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -72.06 150.25 44.11 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.035 0.445 . . . . 72.42 110.414 -177.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.75 -38.35 3.12 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 114.752 -1.113 . . . . 70.21 111.769 -167.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.57 124.57 35.84 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.899 1.28 . . . . 72.12 109.485 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.9 t -75.14 -13.38 60.46 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.11 0.964 . . . . 63.54 112.539 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.2 m -92.68 140.85 29.1 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.542 0.737 . . . . 70.2 109.758 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.486 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 64.8 mt -81.58 146.34 30.17 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.984 0.914 . . . . 74.54 109.661 177.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.84 103.25 13.42 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.103 0.961 . . . . 63.1 108.449 -176.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.72 100.53 14.65 Favored Pre-proline 0 N--CA 1.473 0.695 0 N-CA-C 109.218 -0.66 . . . . 74.31 109.218 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -88.33 132.39 2.64 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 123.004 2.469 . . . . 74.42 110.963 172.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -155.69 168.81 25.97 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.833 0.853 . . . . 74.24 110.049 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.8 p -131.71 167.1 20.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.055 0.942 . . . . 50.01 108.615 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 1.9 p30 -147.56 -167.95 2.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.638 0.775 . . . . 51.1 110.303 -177.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.69 -33.5 53.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.776 0.43 . . . . 72.24 111.217 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.2 m -69.98 -32.26 70.38 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 123.756 0.823 . . . . 72.5 110.291 -175.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.1 p -68.5 -35.04 76.95 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.674 0.79 . . . . 64.45 111.501 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.36 -37.25 82.68 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.417 0.687 . . . . 71.2 111.807 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.402 ' HB2' ' HG2' ' A' ' 126' ' ' ARG . 13.0 m-20 -67.54 -13.02 61.69 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.265 0.626 . . . . 73.3 111.968 178.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.63 18.83 80.03 Favored Glycine 0 C--N 1.344 0.981 0 O-C-N 123.271 0.357 . . . . 44.1 113.628 -176.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HG2' ' HB2' ' A' ' 124' ' ' ASP . 13.3 ptm180 -101.11 -20.53 15.29 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.283 0.633 . . . . 74.5 109.989 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 19.1 p -122.2 -179.29 4.12 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 109.011 -0.737 . . . . 73.03 109.011 159.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.05 101.9 0.74 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.597 1.159 . . . . 75.22 111.384 -162.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -63.75 -31.24 72.35 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.72 0.408 . . . . 63.23 111.537 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -75.22 -14.23 60.51 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.368 0.667 . . . . 71.24 111.718 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 133.33 153.15 7.05 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 112.031 -0.428 . . . . 61.51 112.031 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -116.48 140.59 49.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.22 -1.4 . . . . 65.42 107.22 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.584 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 97.3 m-85 -103.2 168.77 8.96 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 118.502 0.592 . . . . 71.54 110.446 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.459 HD13 HD22 ' A' ' 149' ' ' LEU . 0.8 OUTLIER -143.64 130.78 20.69 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 107.88 -1.156 . . . . 63.25 107.88 169.59 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -95.07 100.67 12.46 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 107.635 -1.246 . . . . 70.34 107.635 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.9 t -109.47 117.03 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 115.422 -0.808 . . . . 74.33 109.414 -169.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.461 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 30.7 t70 -80.22 118.44 72.41 Favored Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 108.179 -1.045 . . . . 71.2 108.179 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.486 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 41.5 Cg_endo -66.09 -32.91 42.54 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.22 1.947 . . . . 74.11 111.86 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.32 40.59 26.68 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.228 1.011 . . . . 74.34 112.069 -175.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.567 ' HA3' ' HB2' ' A' ' 1' ' ' MET . . . 51.98 43.91 55.84 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 116.137 -0.483 . . . . 75.42 114.197 -173.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.41 161.08 28.97 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.148 0.579 . . . . 53.32 111.773 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -129.62 166.53 19.56 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.867 1.267 . . . . 75.11 108.782 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 65' ' ' GLN . . . -60.35 114.56 6.6 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 111.725 -0.55 . . . . 63.15 111.725 177.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 115.85 -16.47 16.05 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-O 119.669 -0.517 . . . . 63.4 112.416 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -78.54 -174.39 3.81 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 117.514 0.657 . . . . 64.21 109.913 173.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -135.69 154.09 51.39 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.173 0.589 . . . . 73.43 110.105 173.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 20.4 m -137.54 153.53 28.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 125.604 1.562 . . . . 73.11 107.403 173.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.55 129.02 34.26 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.504 0.322 . . . . 71.32 111.324 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.459 HD22 HD13 ' A' ' 134' ' ' LEU . 15.6 mt -104.67 87.43 2.68 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 124.455 1.102 . . . . 73.13 108.611 168.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.496 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 5.1 p30 -94.18 102.34 14.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.609 -1.178 . . . . 73.51 109.519 176.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.564 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 26.7 m-85 -70.52 -16.39 62.89 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 114.882 -1.054 . . . . 75.12 111.641 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.463 HD22 HD22 ' A' ' 153' ' ' LEU . 9.4 t30 -62.4 -38.45 89.7 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.136 0.575 . . . . 72.33 110.212 172.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.575 HD11 HG12 ' A' ' 19' ' ' ILE . 4.3 mm? -79.15 -6.23 56.03 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.049 0.94 . . . . 73.31 112.301 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.4 140.15 1.76 Allowed 'General case' 0 N--CA 1.48 1.036 0 O-C-N 124.879 1.362 . . . . 43.33 113.522 -171.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.584 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 88.4 t80 -96.2 138.66 33.48 Favored 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.192 -0.913 . . . . 73.35 109.27 -170.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -98.27 121.45 56.95 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 113.868 -1.514 . . . . 73.24 110.824 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' PRO . . . . . 0.448 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 47.4 Cg_endo -67.34 137.98 45.11 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.378 2.052 . . . . 70.34 110.372 164.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -80.59 -3.19 49.41 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.384 0.673 . . . . 74.22 112.639 -174.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 157' ' ' PRO . 25.6 p -62.44 -30.99 71.63 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 123.879 0.737 . . . . 61.04 110.075 169.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.7 ' HA ' ' HB2' ' A' ' 191' ' ' GLU . . . -66.8 -23.73 66.09 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 123.982 0.913 . . . . 65.24 112.549 177.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -92.45 1.62 57.14 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.282 1.033 . . . . 61.42 111.206 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.56 -32.71 6.69 Favored Glycine 0 C--N 1.353 1.512 0 N-CA-C 112.445 -0.262 . . . . 54.43 112.445 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -62.42 116.05 8.84 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 111.48 -0.648 . . . . 63.34 111.48 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 19.8 m -96.01 79.48 3.24 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.462 0.649 . . . . 71.41 109.359 -166.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -114.15 178.47 4.27 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 115.312 -0.858 . . . . 73.23 110.34 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 36.3 p -69.98 103.64 2.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.724 0.809 . . . . 72.03 111.976 -173.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 24.5 t -111.48 114.39 27.46 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.776 -1.194 . . . . 64.51 107.776 169.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.23 106.05 4.9 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.817 0.847 . . . . 73.35 109.817 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 57.8 mt -57.91 128.91 81.58 Favored Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 124.398 1.079 . . . . 74.22 109.837 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.92 158.36 57.69 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.878 2.386 . . . . 63.44 112.931 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -62.73 148.73 93.02 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.639 2.226 . . . . 71.3 112.234 167.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -57.05 -29.19 63.21 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.78 1.232 . . . . 71.01 113.191 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.29 -22.46 64.72 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.406 0.682 . . . . 73.35 111.341 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 102' ' ' LEU . 10.1 m120 -95.45 18.79 11.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.563 0.697 . . . . 53.4 110.347 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -86.72 109.01 18.93 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 107.316 -1.364 . . . . 72.1 107.316 169.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 58.1 t -87.47 112.31 47.42 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 124.685 1.194 . . . . 72.2 108.755 176.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -65.99 71.62 0.37 Allowed 'Trans proline' 0 C--N 1.371 1.758 0 C-N-CA 122.609 2.206 . . . . 73.01 112.414 166.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -155.21 148.77 25.22 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.338 1.455 . . . . 44.21 108.225 175.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -87.6 114.35 24.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.241 0.616 . . . . 74.3 109.645 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 151' ' ' PHE . 2.9 mp -107.06 96.15 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 N-CA-C 108.244 -1.021 . . . . 74.01 108.244 174.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 24.3 p -97.14 79.05 2.8 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.667 0.787 . . . . 62.21 109.961 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -163.22 116.39 1.57 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.388 1.075 . . . . 31.21 108.465 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.409 ' H ' ' HD2' ' A' ' 52' ' ' PHE . . . 168.32 -159.29 32.42 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 112.065 -0.414 . . . . 44.14 112.065 176.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.53 143.55 57.58 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.864 0.865 . . . . 63.4 108.668 156.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.409 ' HD2' ' HG3' ' A' ' 50' ' ' ARG . 44.2 mtt180 -81.39 129.12 34.5 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 108.087 -1.079 . . . . 64.13 108.087 174.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.9 151.14 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.547 0.739 . . . . 75.42 109.658 -165.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' ASP . . . . . 0.543 ' HB2' ' HB2' ' A' ' 190' ' ' LEU . 10.1 m-20 -113.46 142.03 46.4 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.423 1.089 . . . . 73.44 109.968 -176.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -69.53 -19.94 63.7 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 121.089 0.471 . . . . 74.53 110.535 164.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.63 -46.15 66.85 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.523 1.129 . . . . 71.53 110.606 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.543 ' HB2' ' HB2' ' A' ' 187' ' ' ASP . 4.2 mm? -82.15 -45.74 14.74 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 114.765 -1.107 . . . . 75.0 110.21 -176.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' GLU . . . . . 0.7 ' HB2' ' HA ' ' A' ' 160' ' ' ALA . 16.7 tp10 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 113.478 -1.692 . . . . 63.21 110.15 -163.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.29 -0.633 . . . . 73.24 109.29 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -42.15 77.44 Favored Pre-proline 0 CA--C 1.565 1.549 0 C-N-CA 122.846 0.458 . . . . 64.54 110.646 171.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -70.02 147.73 61.83 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 121.521 1.481 . . . . 73.33 112.091 156.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 tt -70.56 143.14 89.71 Favored Pre-proline 0 CA--C 1.57 1.748 0 C-N-CA 123.479 0.712 . . . . 52.41 109.421 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -77.83 126.47 8.06 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.188 1.926 . . . . 70.54 110.051 170.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -177.34 -54.94 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 126.384 1.873 . . . . 74.13 107.538 -171.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -84.52 35.98 0.56 Allowed 'Trans proline' 0 C--N 1.393 2.918 0 C-N-CA 122.285 1.99 . . . . 64.12 112.142 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 m -73.15 67.15 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 CA-C-O 123.877 1.799 . . . . 72.24 110.262 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t 171.52 103.69 0.01 OUTLIER 'General case' 0 C--O 1.241 0.655 0 CA-C-N 110.321 -3.127 . . . . 73.02 108.104 -173.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -40.91 148.04 0.11 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.792 0.837 . . . . 74.15 112.693 161.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 t -45.68 138.42 4.64 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 123.856 0.862 . . . . 74.12 110.183 171.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -49.78 -30.85 10.33 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 115.921 1.823 . . . . 63.44 115.921 -157.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -73.94 -43.33 58.64 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.695 0.398 . . . . 74.13 110.261 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -30.94 68.95 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.685 0.794 . . . . 54.3 110.965 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.555 ' O ' HG13 ' A' ' 19' ' ' ILE . 39.4 t90 -67.65 -50.21 59.03 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.753 0.821 . . . . 63.12 109.415 176.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.5 ttp85 -63.26 -35.87 81.78 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.921 0.488 . . . . 74.33 110.228 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.64 88.26 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.677 0.791 . . . . 53.1 111.248 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -66.34 -32.75 74.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.576 0.75 . . . . 75.42 111.208 174.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.65 HG12 HD11 ' A' ' 153' ' ' LEU . 46.4 mt -73.76 -43.34 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 122.571 0.348 . . . . 74.2 110.674 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.17 -32.95 74.9 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.781 0.676 . . . . 73.44 110.655 173.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.01 -36.28 69.66 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.261 0.624 . . . . 74.33 111.109 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.437 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 8.1 m80 -71.82 -32.4 67.53 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.383 0.673 . . . . 62.31 110.172 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -67.34 -50.53 59.6 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.852 -0.796 . . . . 64.23 108.852 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.21 91.05 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.647 1.217 . . . . 74.44 111.063 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.44 -58.99 5.86 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.488 1.115 . . . . 74.11 111.441 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 63.5 mmtt -61.28 -43.1 99.43 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.197 0.311 . . . . 62.23 110.235 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -50.41 -55.26 16.57 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.638 1.175 . . . . 64.22 111.293 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -77.52 -27.61 51.76 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.527 -0.76 . . . . 75.1 111.229 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -56.91 -69.43 0.16 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 124.024 0.93 . . . . 75.12 111.2 -173.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.551 HD21 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.22 -10.18 59.5 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.191 0.441 . . . . 75.05 112.191 -177.572 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.46 -26.81 26.09 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 122.747 0.419 . . . . 64.3 111.206 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -113.52 -53.01 2.73 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 112.535 0.569 . . . . 61.23 112.535 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 135.87 57.79 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.471 0.708 . . . . 74.04 111.794 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.55 -16.95 37.74 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.538 0.94 . . . . 72.41 113.538 -173.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -69.92 -30.91 68.43 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 112.604 0.594 . . . . 72.12 112.604 -172.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.3 m -157.21 68.12 4.17 Favored Pre-proline 0 N--CA 1.486 1.372 0 N-CA-C 108.156 -1.053 . . . . 62.3 108.156 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -90.18 169.35 4.24 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 123.405 2.737 . . . . 64.02 113.264 -176.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.4 HD11 HD23 ' A' ' 30' ' ' LEU . 42.6 mt -73.01 135.86 80.02 Favored Pre-proline 0 CA--C 1.554 1.1 0 N-CA-C 108.482 -0.933 . . . . 74.13 108.482 169.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.482 ' HG3' ' HE1' ' A' ' 165' ' ' PHE . 21.3 Cg_exo -63.64 146.4 92.39 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.145 1.896 . . . . 74.12 111.242 172.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.511 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 21.0 Cg_endo -55.92 -22.58 38.78 Favored 'Trans proline' 0 C--N 1.383 2.387 0 C-N-CA 124.113 3.209 . . . . 74.42 115.437 -167.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.41 81.85 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.458 0.703 . . . . 55.21 112.562 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -89.87 -29.35 18.63 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.915 0.486 . . . . 72.22 110.544 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.511 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 48.8 ttt180 -66.19 -31.23 71.94 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.679 0.792 . . . . 44.2 111.85 -177.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.13 -41.84 78.9 Favored Glycine 0 C--N 1.347 1.186 0 N-CA-C 111.848 -0.501 . . . . 74.32 111.848 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.51 22.02 2.34 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.937 0.895 . . . . 51.25 112.19 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -82.8 113.16 20.25 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.186 0.594 . . . . 75.33 109.787 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -113.61 -11.43 13.0 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.243 0.617 . . . . 75.14 110.56 172.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.03 132.24 1.73 Allowed Glycine 0 C--N 1.344 0.985 0 N-CA-C 111.422 -0.671 . . . . 73.3 111.422 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.551 HD11 HD21 ' A' ' 30' ' ' LEU . 29.1 mt -62.6 140.9 58.68 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.828 0.37 . . . . 74.21 110.435 173.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.42 ' HB2' ' HA ' ' A' ' 184' ' ' GLU . 6.5 mmt180 -72.67 140.81 48.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.226 -0.897 . . . . 73.51 108.749 -169.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -142.89 142.2 31.7 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.712 -0.477 . . . . 72.25 109.712 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -88.24 169.0 12.24 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 108.335 -0.987 . . . . 73.4 108.335 169.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.9 137.96 52.06 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.565 -0.902 . . . . 74.0 108.565 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.412 HG13 HG21 ' A' ' 19' ' ' ILE . 2.3 mp -60.13 124.74 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 124.396 1.06 . . . . 74.32 109.906 -172.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -131.76 125.0 30.87 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.221 0.608 . . . . 74.23 110.12 -174.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.42 -19.22 50.52 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.129 0.972 . . . . 74.23 112.757 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 t -74.47 -23.47 58.88 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.884 0.474 . . . . 74.15 110.554 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 47.8 m-85 -74.39 -0.1 16.19 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 112.395 0.516 . . . . 74.11 112.395 172.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 41.1 ttp180 -98.0 104.69 16.74 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.923 0.783 . . . . 61.42 109.465 171.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.5 m -100.68 151.74 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 109.869 -0.419 . . . . 65.11 109.869 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.85 117.86 28.14 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.204 -1.036 . . . . 22.52 108.204 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -112.26 128.65 56.32 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.615 0.766 . . . . 64.51 110.279 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -77.08 115.39 16.83 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.524 -0.917 . . . . 73.33 108.524 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -79.12 112.61 16.5 Favored 'General case' 0 C--O 1.254 1.298 0 C-N-CA 124.217 1.007 . . . . 71.4 109.447 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -112.47 104.03 55.75 Favored Pre-proline 0 CA--C 1.543 0.687 0 N-CA-C 107.965 -1.124 . . . . 73.5 107.965 172.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.91 137.48 81.18 Favored 'Trans proline' 0 C--N 1.372 1.776 0 C-N-CA 122.552 2.168 . . . . 73.44 111.171 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.57 98.57 0.52 Allowed 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.309 -0.997 . . . . 72.13 108.309 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -52.86 -32.99 47.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.957 1.303 . . . . 75.44 110.655 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -109.97 91.79 11.66 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.691 1.197 . . . . 74.42 109.153 169.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -83.23 120.72 2.96 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.019 1.813 . . . . 74.13 111.108 174.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.575 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 15.1 pt-20 -137.85 151.05 47.68 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.73 0.412 . . . . 70.01 110.783 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.565 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -80.72 109.57 15.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.817 0.847 . . . . 63.04 108.996 173.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 34.9 m -104.99 157.62 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.818 0.847 . . . . 70.35 109.845 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -98.42 109.41 22.17 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.655 0.782 . . . . 74.34 109.66 -176.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 85' ' ' TYR . 1.4 mm? -102.64 117.54 34.9 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 106.85 -1.537 . . . . 71.45 106.85 174.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.13 160.8 14.6 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.039 0.536 . . . . 74.3 110.392 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.2 p -125.79 154.68 42.23 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.634 -0.506 . . . . 65.21 109.634 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.485 HG23 HD21 ' A' ' 169' ' ' LEU . 23.8 p -68.64 -30.05 68.67 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 115.725 -0.67 . . . . 50.45 109.756 175.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -75.46 -18.27 59.91 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.854 1.262 . . . . 62.31 112.062 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 142.55 -120.03 1.51 Allowed Glycine 0 C--N 1.353 1.485 0 CA-C-O 119.036 -0.869 . . . . 62.15 113.524 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -58.78 146.62 92.0 Favored 'Trans proline' 0 C--N 1.385 2.451 0 C-N-CA 123.846 3.031 . . . . 53.55 113.77 -171.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.55 164.9 32.59 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.914 2.409 . . . . 64.14 113.444 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.87 140.33 53.09 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.907 0.883 . . . . 63.12 110.247 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.565 ' HB2' ' HB1' ' A' ' 72' ' ' ALA . 9.4 pt-20 -84.05 122.03 28.23 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.073 0.549 . . . . 74.23 110.859 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.563 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 20.0 m-85 -124.92 133.89 52.87 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 108.273 -1.01 . . . . 62.53 108.273 173.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.7 m -79.41 146.85 32.58 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.087 -0.709 . . . . 75.23 109.087 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.575 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 24.3 mtm180 -80.97 109.39 15.5 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.342 0.519 . . . . 75.13 110.088 175.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.634 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -83.11 -51.76 7.23 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.639 0.775 . . . . 70.53 111.092 178.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.7 176.37 11.6 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.075 -0.966 . . . . 72.22 111.146 -169.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.3 t -134.96 117.05 21.45 Favored 'Isoleucine or valine' 0 C--O 1.248 1.026 0 N-CA-C 106.104 -1.813 . . . . 75.23 106.104 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.536 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.1 mm? -89.67 116.38 27.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.671 0.789 . . . . 74.32 109.492 178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.14 120.03 6.22 Favored Glycine 0 C--N 1.341 0.838 0 N-CA-C 110.048 -1.221 . . . . 51.11 110.048 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.428 ' HE1' ' HG ' ' A' ' 102' ' ' LEU . 26.8 p90 -150.09 -174.67 4.79 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.228 0.611 . . . . 74.33 109.363 -171.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -129.17 152.46 48.73 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.077 0.551 . . . . 73.32 109.623 170.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.528 HD23 HG11 ' A' ' 176' ' ' VAL . 33.3 tp -167.96 140.33 3.08 Favored 'General case' 0 C--O 1.252 1.197 0 N-CA-C 108.016 -1.105 . . . . 75.35 108.016 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.34 -101.92 1.54 Allowed Glycine 0 C--N 1.343 0.953 0 N-CA-C 110.889 -0.884 . . . . 43.21 110.889 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -133.62 3.51 3.56 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.399 1.08 . . . . 71.51 109.609 170.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.7 m -112.73 134.19 54.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.624 0.369 . . . . 61.11 111.547 -171.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -85.71 110.53 19.38 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 106.657 -1.609 . . . . 64.1 106.657 166.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -128.68 157.84 40.24 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.807 0.443 . . . . 74.12 109.906 -166.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.0 p -117.89 144.19 45.65 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.984 0.514 . . . . 70.32 110.536 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.428 ' HG ' ' HE1' ' A' ' 93' ' ' PHE . 88.8 mt -122.44 128.98 51.57 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.017 -1.105 . . . . 63.41 108.017 169.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.6 m -80.61 128.51 33.69 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.191 -0.67 . . . . 72.02 109.191 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.87 124.31 37.8 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.065 -1.087 . . . . 73.32 108.065 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.563 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 60.9 m-85 -101.53 135.51 42.92 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.05 0.54 . . . . 71.35 110.674 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.634 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 43.1 ttm180 -91.24 130.18 37.14 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.044 -1.095 . . . . 75.0 108.044 175.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 47.2 t -110.48 128.46 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 108.153 -1.054 . . . . 42.15 108.153 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.82 133.07 55.75 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.477 0.711 . . . . 75.45 110.486 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 84.67 -38.43 2.93 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-N 116.404 -0.362 . . . . 75.34 113.418 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.547 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 11.5 tp10 -85.96 119.59 26.43 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.772 0.829 . . . . 51.2 110.055 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.1 m -71.12 -24.73 62.34 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.866 0.866 . . . . 72.41 112.013 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 m -89.58 151.66 21.81 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.971 0.508 . . . . 61.41 110.624 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 75.8 mt -91.19 132.64 35.96 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.943 0.897 . . . . 73.45 110.002 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -91.78 104.35 16.81 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 107.368 -1.345 . . . . 64.2 107.368 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.9 t -102.34 95.13 5.53 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 108.077 -1.083 . . . . 63.34 108.077 176.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -82.82 132.01 6.33 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.316 2.011 . . . . 51.15 110.385 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 132' ' ' ARG . 29.2 p90 -153.08 159.79 42.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.361 0.6 . . . . 74.21 110.919 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.1 p -121.15 161.05 22.5 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.58 -1.191 . . . . 65.31 107.918 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 4.8 p-10 -150.99 -167.66 2.88 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.788 0.835 . . . . 54.55 109.067 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -68.06 -36.64 80.21 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.015 0.371 . . . . 75.42 111.494 -175.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.9 m -69.63 -27.71 65.29 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.453 0.701 . . . . 74.24 110.609 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' A' ' 127' ' ' THR . 27.0 p -81.95 -39.15 24.12 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 116.017 -0.538 . . . . 72.4 110.523 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.47 -32.15 68.48 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.417 0.687 . . . . 61.22 111.269 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.76 -24.57 60.97 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.732 0.813 . . . . 73.31 111.444 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.556 ' HA2' ' HB2' ' A' ' 129' ' ' GLU . . . 82.17 3.85 90.42 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 116.33 1.292 . . . . 73.41 116.33 -177.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -92.57 -7.49 46.99 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 118.225 1.012 . . . . 73.24 112.198 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' ' 122' ' ' THR . 85.3 m -147.94 129.3 14.8 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 118.131 -0.938 . . . . 71.2 108.944 171.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 33.0 54.09 0.39 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 126.111 1.764 . . . . 74.33 114.502 171.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.556 ' HB2' ' HA2' ' A' ' 125' ' ' GLY . 18.7 tt0 -55.07 -51.77 65.31 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.28 1.032 . . . . 74.11 113.054 -170.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -71.0 -8.63 54.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.619 0.768 . . . . 72.31 112.42 -175.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.01 148.1 4.67 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.806 -0.918 . . . . 43.43 110.806 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 14.8 ttm-85 -119.22 158.5 25.87 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 106.256 -1.757 . . . . 74.54 106.256 173.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -117.42 169.73 9.28 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.429 0.633 . . . . 71.31 109.94 170.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.494 HD13 HD22 ' A' ' 149' ' ' LEU . 2.9 tt -144.29 122.37 12.14 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 105.986 -1.857 . . . . 43.24 105.986 165.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.418 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 7.2 p-10 -89.47 110.5 21.32 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 107.699 -1.223 . . . . 72.11 107.699 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.5 t -101.8 127.52 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 108.921 -0.77 . . . . 62.34 108.921 -177.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -81.88 112.08 31.99 Favored Pre-proline 0 C--O 1.241 0.632 0 N-CA-C 106.205 -1.776 . . . . 71.52 106.205 171.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -58.74 -29.6 90.12 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.644 2.229 . . . . 74.35 112.769 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 50.36 37.16 14.66 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.587 1.155 . . . . 62.42 111.814 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.71 45.06 55.08 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-N 115.241 -0.891 . . . . 72.01 114.435 -173.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -79.53 146.57 32.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.6 0.36 . . . . 60.1 110.688 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -129.29 -169.14 2.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.197 0.999 . . . . 73.44 109.947 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.66 99.03 0.23 Allowed Glycine 0 C--N 1.357 1.703 0 O-C-N 123.835 0.71 . . . . 72.25 113.872 -172.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 101.38 8.65 46.27 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-O 119.734 -0.481 . . . . 65.45 113.634 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -80.91 172.56 13.59 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 107.069 -1.456 . . . . 52.44 107.069 161.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -137.66 156.33 48.16 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.7 0.762 . . . . 74.33 111.001 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.24 172.82 15.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 114.503 -1.226 . . . . 62.43 109.041 -174.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.85 118.37 31.35 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 122.796 0.438 . . . . 73.23 110.424 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.494 HD22 HD13 ' A' ' 134' ' ' LEU . 14.3 mt -93.43 85.2 4.88 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 106.925 -1.509 . . . . 72.24 106.925 164.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 12.9 t0 -90.63 102.01 14.76 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.93 -1.032 . . . . 73.35 108.331 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 21.2 m-85 -73.55 -17.61 61.18 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.865 0.866 . . . . 73.21 111.327 -177.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.432 ' ND2' HD13 ' A' ' 19' ' ' ILE . 6.3 t30 -71.33 -25.65 62.49 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.078 0.551 . . . . 64.42 109.912 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.65 HD11 HG12 ' A' ' 19' ' ' ILE . 3.1 mm? -106.54 19.2 20.86 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.871 0.868 . . . . 70.41 112.008 174.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.94 148.91 7.02 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.264 0.626 . . . . 52.54 112.309 171.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -100.1 162.08 13.2 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.741 0.816 . . . . 73.01 109.478 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -121.52 133.32 24.2 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 124.402 1.081 . . . . 75.23 112.158 -164.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -78.98 146.74 20.62 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.663 2.242 . . . . 72.14 112.106 168.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.438 ' HE1' HD12 ' A' ' 30' ' ' LEU . 85.1 m-85 -81.03 -6.23 58.55 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 112.697 0.628 . . . . 74.0 112.697 -177.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 48.7 t -69.07 -33.9 74.29 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.138 0.575 . . . . 50.23 109.534 168.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.404 ' HA ' ' HB3' ' A' ' 191' ' ' GLU . . . -82.48 11.23 5.86 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.459 1.104 . . . . 64.13 112.535 -175.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' TYR . . . . . 0.425 ' CE2' ' HG ' ' A' ' 30' ' ' LEU . 35.2 m-85 -101.66 12.29 37.42 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.796 0.838 . . . . 73.31 111.422 173.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 79.46 49.29 6.28 Favored Glycine 0 C--N 1.349 1.263 0 N-CA-C 111.4 -0.68 . . . . 74.04 111.4 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -160.5 172.58 36.92 Favored Glycine 0 C--N 1.343 0.93 0 CA-C-N 115.275 -0.462 . . . . 61.0 112.231 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 24.5 p -105.39 68.01 0.79 Allowed 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.993 0.902 . . . . 72.42 109.045 -173.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.482 ' HE1' ' HG3' ' A' ' 39' ' ' PRO . 71.9 m-85 -105.89 157.42 17.5 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.754 -1.112 . . . . 74.22 110.334 176.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.7 p -75.4 127.51 33.3 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.783 -1.099 . . . . 53.33 110.986 -174.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.1 p -134.85 123.93 24.26 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.188 -1.041 . . . . 73.2 108.188 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -68.07 99.34 0.86 Allowed 'General case' 0 C--O 1.244 0.764 0 N-CA-C 108.8 -0.815 . . . . 62.32 108.8 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.485 HD21 HG23 ' A' ' 78' ' ' THR . 82.1 mt -59.51 123.31 70.13 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.364 1.065 . . . . 74.13 110.096 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.71 142.83 78.47 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.398 2.065 . . . . 74.52 111.725 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.66 157.11 48.88 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.063 1.842 . . . . 61.31 111.456 168.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.6 66.68 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.979 0.912 . . . . 63.51 112.5 -176.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.16 -15.4 61.96 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.955 0.902 . . . . 64.3 111.227 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -96.69 28.62 3.33 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.909 0.883 . . . . 70.42 110.28 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -103.45 109.07 20.58 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.673 -0.492 . . . . 74.22 109.673 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.528 HG11 HD23 ' A' ' 95' ' ' LEU . 39.1 t -83.94 125.91 71.7 Favored Pre-proline 0 CA--C 1.547 0.836 0 N-CA-C 108.306 -0.998 . . . . 71.33 108.306 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -77.94 66.37 8.21 Favored 'Trans proline' 0 CA--C 1.555 1.572 0 C-N-CA 122.585 2.19 . . . . 73.21 111.899 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.507 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -152.0 149.51 28.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.138 0.975 . . . . 62.0 109.732 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.11 108.64 20.01 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.838 0.455 . . . . 70.41 110.375 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' A' ' 151' ' ' PHE . 2.4 mp -98.28 96.54 5.24 Favored 'Isoleucine or valine' 0 C--O 1.244 0.797 0 N-CA-C 108.022 -1.103 . . . . 64.11 108.022 178.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 61.3 p -94.99 76.27 3.53 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.516 -0.765 . . . . 63.51 111.053 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -161.54 115.51 1.95 Allowed 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.896 -1.047 . . . . 72.01 108.203 172.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 168.66 -158.17 30.69 Favored Glycine 0 C--O 1.243 0.706 0 N-CA-C 109.981 -1.247 . . . . 51.12 109.981 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 50' ' ' ARG . 1.3 mp0 -78.86 141.93 37.27 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 108.46 -0.941 . . . . 72.13 108.46 153.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 137.21 37.04 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.499 -1.297 . . . . 71.2 107.499 166.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 44.0 t -131.2 163.05 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 107.871 -1.159 . . . . 74.12 107.871 -168.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 191' ' ' GLU . 45.2 m-20 -115.32 130.86 57.03 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.803 0.441 . . . . 52.35 109.906 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.51 -12.66 16.06 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 124.203 0.939 . . . . 62.45 111.665 166.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.11 -35.02 37.41 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.478 1.111 . . . . 64.51 110.828 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 187' ' ' ASP . 4.3 mm? -93.7 -53.51 4.0 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.048 0.939 . . . . 70.24 111.995 -170.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 187' ' ' ASP . 15.8 pt-20 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.614 -0.707 . . . . 74.41 112.475 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HA ' ' HA3' ' A' ' 140' ' ' GLY . 1.2 mpt? . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 108.579 -0.897 . . . . 72.22 108.579 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.8 t -72.23 -47.95 10.37 Favored Pre-proline 0 CA--C 1.557 1.242 0 CA-C-O 119.049 -0.5 . . . . 74.51 109.907 170.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.26 141.24 38.82 Favored 'Trans proline' 0 C--N 1.388 2.636 0 CA-C-N 120.623 1.258 . . . . 63.32 110.661 164.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.8 mt -67.69 136.48 92.69 Favored Pre-proline 0 N--CA 1.473 0.722 0 C-N-CA 123.858 0.863 . . . . 55.4 110.359 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.56 ' HG3' ' HB2' ' A' ' 141' ' ' ALA . 52.9 Cg_endo -69.59 127.39 14.66 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 122.574 2.183 . . . . 72.32 110.602 178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -177.18 -56.25 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.41 0 C-N-CA 125.498 1.519 . . . . 74.13 108.479 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -89.44 25.58 0.59 Allowed 'Trans proline' 0 C--N 1.398 3.134 0 C-N-CA 122.265 1.977 . . . . 71.51 111.853 174.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.7 -19.07 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.799 0.84 . . . . 72.33 111.284 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 t -83.42 79.66 9.34 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 106.455 -1.683 . . . . 70.15 106.455 157.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 2.2 t0 -33.22 163.36 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 127.493 2.317 . . . . 74.13 116.072 -175.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -55.08 132.15 46.63 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.303 -0.862 . . . . 74.3 109.004 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -40.94 -37.16 0.75 Allowed 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 115.493 1.664 . . . . 73.14 115.493 -162.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.06 -59.11 5.24 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.533 0.733 . . . . 63.31 110.571 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -72.84 -22.99 60.71 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 114.989 -1.005 . . . . 52.51 111.081 -178.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.44 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 46.0 t90 -67.52 -47.71 69.13 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.338 1.055 . . . . 73.02 109.852 174.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.484 ' HA ' HD12 ' A' ' 19' ' ' ILE . 21.6 ttt180 -67.35 -27.93 67.54 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.564 -0.744 . . . . 74.42 109.807 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.9 78.1 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 122.999 0.52 . . . . 50.34 112.325 168.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 26.8 mmt180 -60.46 -46.2 90.93 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 109.528 -0.545 . . . . 62.22 109.528 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.583 HG12 ' HG ' ' A' ' 153' ' ' LEU . 73.6 mt -57.06 -53.48 42.68 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-N 114.318 -1.31 . . . . 71.33 109.892 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.96 75.55 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.033 0.833 . . . . 34.45 111.844 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.38 -50.87 62.05 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.273 0.629 . . . . 70.44 111.262 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -63.8 -47.56 80.38 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.047 0.539 . . . . 63.4 111.497 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -47.95 -58.38 4.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.661 1.585 . . . . 63.42 111.285 172.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.01 -34.82 71.71 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.881 0.738 . . . . 61.51 111.763 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.47 -52.78 63.11 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.345 0.658 . . . . 75.42 110.924 174.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -72.58 -20.53 61.29 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.718 -0.674 . . . . 75.25 111.064 -177.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.62 -47.58 59.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.283 1.033 . . . . 75.02 110.074 172.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -85.71 -12.69 50.52 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.879 -0.601 . . . . 65.54 112.259 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.499 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 81.0 t80 -56.29 -42.32 77.35 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.175 0.59 . . . . 51.31 112.356 -177.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.695 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -90.15 -16.31 29.81 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.457 0.54 . . . . 63.45 112.457 177.789 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -58.73 2.44 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.892 0.477 . . . . 42.14 111.487 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -91.73 -59.14 2.2 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.817 0.847 . . . . 74.13 110.746 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 80.3 m80 -55.3 122.83 12.0 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 123.658 0.783 . . . . 61.34 111.488 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -72.48 -6.11 41.48 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.352 1.061 . . . . 71.33 112.267 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -59.26 -29.29 67.45 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.241 1.016 . . . . 73.4 112.625 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -157.42 77.05 3.88 Favored Pre-proline 0 CA--C 1.553 1.062 0 N-CA-C 108.984 -0.747 . . . . 75.13 108.984 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.16 124.49 14.47 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.541 2.161 . . . . 75.24 112.047 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.695 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 17.2 tt -72.72 140.28 81.21 Favored Pre-proline 0 CA--C 1.556 1.194 0 CA-C-O 118.511 -0.757 . . . . 73.43 109.695 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -54.66 145.63 58.58 Favored 'Trans proline' 0 C--N 1.388 2.653 0 C-N-CA 122.806 2.337 . . . . 74.21 112.047 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -54.63 -24.91 39.1 Favored 'Trans proline' 0 C--N 1.384 2.404 0 C-N-CA 123.822 3.015 . . . . 72.33 113.885 -174.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.87 -50.7 72.35 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.53 0.732 . . . . 70.43 111.215 176.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -90.2 -21.9 21.95 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.778 -0.646 . . . . 74.45 111.373 -175.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -60.03 -40.58 89.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.015 0.526 . . . . 75.41 110.055 166.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.26 -41.94 58.45 Favored Glycine 0 C--N 1.347 1.189 0 CA-C-N 115.737 -0.665 . . . . 33.42 112.183 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.0 18.38 2.52 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.853 0.861 . . . . 60.21 112.732 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -74.4 101.54 4.13 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.789 0.836 . . . . 73.32 109.779 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -121.92 -27.6 4.59 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.793 0.837 . . . . 53.4 109.568 170.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.2 125.8 0.86 Allowed Glycine 0 C--N 1.342 0.892 0 N-CA-C 110.087 -1.205 . . . . 61.34 110.087 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.442 ' HG ' HD21 ' A' ' 30' ' ' LEU . 4.1 mm? -85.31 -175.27 5.63 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.506 0.723 . . . . 65.54 111.508 -174.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.509 ' NH2' ' HA ' ' A' ' 186' ' ' VAL . 9.6 mmm-85 -88.0 114.33 24.51 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.193 0.52 . . . . 71.41 111.129 -165.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -163.49 135.46 5.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.663 1.585 . . . . 72.24 107.871 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.469 ' HA ' ' HB2' ' A' ' 184' ' ' GLU . 69.8 m-85 -75.72 159.66 30.86 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.147 0.579 . . . . 75.15 111.204 -173.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -75.02 158.21 33.58 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.735 -0.666 . . . . 73.35 110.35 -174.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.12 134.4 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.936 0.894 . . . . 63.52 110.918 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -162.72 121.24 2.13 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.147 0.579 . . . . 74.53 109.996 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.74 -5.99 56.35 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.14 0.976 . . . . 75.24 112.553 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.9 m -70.99 -50.5 33.57 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.497 0.319 . . . . 75.22 111.435 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.773 ' HB2' ' HB2' ' A' ' 152' ' ' ASN . 94.8 m-85 -88.16 27.78 1.16 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.874 0.694 . . . . 74.24 112.874 -171.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 32.7 ptt180 -104.94 97.56 7.41 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.51 -0.922 . . . . 74.4 108.51 169.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -102.63 178.55 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.999 -0.741 . . . . 73.5 108.999 178.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.15 138.52 54.15 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.88 -0.785 . . . . 72.21 108.88 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.83 145.2 49.89 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.291 1.037 . . . . 74.52 109.204 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -75.98 126.16 30.47 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.468 -0.568 . . . . 74.13 109.468 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.422 ' HB3' ' O ' ' A' ' 145' ' ' ASP . 35.7 t80 -84.76 120.87 26.92 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 123.932 0.893 . . . . 63.11 108.615 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -115.77 99.27 52.37 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.432 1.093 . . . . 65.24 108.083 174.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -66.12 141.15 62.33 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.464 2.109 . . . . 73.51 111.136 -175.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 95.74 0.68 Allowed 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.664 -0.865 . . . . 73.12 108.664 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -59.35 -27.16 65.68 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.584 1.153 . . . . 75.21 111.365 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -136.35 88.48 20.72 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 123.781 0.832 . . . . 71.23 108.846 170.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -79.82 148.59 20.03 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 123.031 2.488 . . . . 71.41 112.827 -175.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 158.2 44.13 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.447 0.699 . . . . 73.51 110.984 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.51 113.01 24.34 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.614 0.766 . . . . 75.21 109.863 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 m -105.0 154.1 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 124.23 1.012 . . . . 74.31 108.711 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -106.24 128.01 53.64 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 109.223 -0.658 . . . . 55.42 109.223 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.512 ' HB2' ' HB1' ' A' ' 168' ' ' ALA . 1.3 mm? -114.22 122.88 48.11 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 106.937 -1.505 . . . . 74.13 106.937 175.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.76 149.4 44.05 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 109.844 -0.428 . . . . 73.32 109.844 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 167' ' ' CYS . 58.3 p -119.31 164.35 15.81 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 120.887 0.375 . . . . 70.34 111.359 -173.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.7 p -77.26 -26.28 52.34 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.398 -0.819 . . . . 71.02 110.015 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.537 ' HB2' ' HA ' ' A' ' 166' ' ' SER . 23.4 tpt180 -71.86 -31.43 66.46 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.641 1.176 . . . . 73.32 112.249 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.99 -122.07 1.41 Allowed Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.414 -1.214 . . . . 74.32 111.907 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.37 151.45 44.79 Favored 'Trans proline' 0 C--N 1.384 2.407 0 C-N-CA 123.541 2.827 . . . . 74.12 112.534 -178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.29 157.76 56.0 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.604 2.203 . . . . 73.14 112.903 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.4 123.72 48.35 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.143 0.977 . . . . 50.23 108.587 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.86 122.81 32.63 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.784 0.434 . . . . 74.12 111.004 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.71 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 61.9 m-85 -122.38 134.34 54.62 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.736 1.214 . . . . 74.15 108.128 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -86.02 132.22 34.1 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 108.474 -0.935 . . . . 43.45 108.474 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -68.79 114.17 6.89 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.838 -0.43 . . . . 74.13 109.838 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.83 -50.27 9.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.636 0.774 . . . . 74.21 111.345 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -163.18 177.46 9.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.538 -0.755 . . . . 51.43 110.591 -171.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.629 HG12 HG22 ' A' ' 101' ' ' THR . 3.0 t -134.06 125.2 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 N-CA-C 107.722 -1.214 . . . . 73.13 107.722 172.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -98.14 121.81 40.51 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.821 0.848 . . . . 74.21 111.191 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.8 122.6 7.63 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 111.602 -0.599 . . . . 71.13 111.602 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.614 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 31.5 p90 -144.78 172.44 13.0 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 117.417 0.608 . . . . 72.4 110.911 -176.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -111.98 149.76 31.52 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.324 1.05 . . . . 53.31 108.64 171.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.454 HD13 HG11 ' A' ' 176' ' ' VAL . 1.0 OUTLIER -166.61 117.29 0.94 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 107.695 -1.224 . . . . 75.01 107.695 -179.009 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.14 -111.43 4.01 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.237 0.335 . . . . 64.51 112.949 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.34 19.74 13.94 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.157 0.983 . . . . 74.1 109.279 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.7 m -122.38 127.98 50.39 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.384 0.674 . . . . 71.21 111.497 -175.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -96.03 112.06 23.9 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 105.794 -1.928 . . . . 71.54 105.794 161.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -130.66 150.25 51.94 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.822 -0.549 . . . . 73.54 109.83 -168.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.629 HG22 HG12 ' A' ' 90' ' ' VAL . 0.3 OUTLIER -120.39 129.65 54.03 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 106.467 -1.679 . . . . 54.01 106.467 -178.463 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.614 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 9.6 tp -117.96 129.28 55.51 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.606 0.762 . . . . 54.24 108.958 -166.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.7 m -84.24 116.46 22.97 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 109.511 -0.552 . . . . 64.03 109.511 -173.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.01 124.62 40.1 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.467 1.107 . . . . 62.1 108.662 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.71 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 38.6 m-85 -99.63 168.87 9.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.424 0.631 . . . . 61.31 110.216 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.526 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 33.5 ttm180 -116.08 133.16 56.33 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.682 1.193 . . . . 65.3 108.333 -171.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 110' ' ' GLU . 1.9 m -128.16 132.13 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.221 -1.029 . . . . 74.51 108.221 167.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -89.66 162.25 15.69 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.273 0.629 . . . . 70.13 110.058 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 75.5 -40.91 1.34 Allowed Glycine 0 CA--C 1.536 1.348 0 CA-C-N 115.757 -0.656 . . . . 70.24 112.354 -164.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.435 ' HB2' HG23 ' A' ' 107' ' ' VAL . 54.1 mm-40 -79.31 128.82 33.8 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.759 0.823 . . . . 71.34 108.905 162.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.2 m -79.24 -4.49 50.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.852 0.461 . . . . 55.03 110.917 166.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.6 m -93.44 144.55 25.24 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.843 0.857 . . . . 73.41 110.53 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.498 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 56.5 mt -89.04 139.25 30.65 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.104 0.962 . . . . 74.5 108.976 175.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.77 106.43 18.42 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.035 -1.098 . . . . 73.4 108.035 -176.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.66 95.48 27.99 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 123.718 0.807 . . . . 62.41 109.071 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 73.2 Cg_endo -86.87 132.36 3.36 Favored 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 122.793 2.329 . . . . 73.21 110.936 171.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.424 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 42.2 p90 -146.33 167.95 22.29 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.572 0.349 . . . . 74.44 110.393 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.8 p -130.28 152.95 49.14 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 109.326 -0.62 . . . . 63.43 109.326 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -145.97 -168.91 3.11 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.406 0.682 . . . . 73.24 110.632 -173.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.54 -22.87 40.43 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.193 0.442 . . . . 74.42 112.193 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.26 -32.29 66.54 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.64 0.376 . . . . 63.23 110.006 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.3 p -66.59 -37.72 85.52 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 122.774 0.429 . . . . 71.03 110.267 171.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.19 -40.39 89.85 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.111 0.564 . . . . 71.42 111.338 174.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.96 -26.52 62.3 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.04 0.536 . . . . 73.53 111.278 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.39 -0.02 89.85 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 114.83 0.692 . . . . 71.33 114.83 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -77.02 -5.88 50.5 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 117.896 0.848 . . . . 72.13 110.976 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.474 ' HA ' ' HB ' ' A' ' 186' ' ' VAL . 68.3 p -127.59 158.99 36.0 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 107.582 -1.266 . . . . 51.14 107.582 160.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.475 ' CG ' ' HB2' ' A' ' 160' ' ' ALA . 33.1 t80 -54.78 113.33 1.28 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.934 0.494 . . . . 74.24 110.908 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -23.1 63.6 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 114.75 -1.113 . . . . 64.15 113.559 -163.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.404 ' HB2' ' CE2' ' A' ' 128' ' ' TYR . 53.9 m-70 -70.79 -12.98 61.87 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.167 0.432 . . . . 71.23 112.167 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.67 171.41 18.16 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-O 121.435 0.464 . . . . 75.31 113.831 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 2.5 tpp180 -116.05 156.35 26.49 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.618 1.567 . . . . 64.31 109.453 172.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -121.06 157.34 30.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.616 1.566 . . . . 61.41 109.151 168.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.424 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 1.9 tt -151.66 129.98 12.04 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 106.808 -1.552 . . . . 75.53 106.808 169.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.29 116.62 29.83 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 107.202 -1.407 . . . . 65.22 107.202 175.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.28 123.41 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 109.318 -0.623 . . . . 72.31 109.318 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -82.93 118.16 70.85 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 107.512 -1.292 . . . . 74.44 107.512 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.498 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 26.8 Cg_endo -60.42 -25.79 81.24 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 122.746 2.297 . . . . 63.32 112.934 -176.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 49.62 37.48 12.75 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.594 1.158 . . . . 40.45 113.017 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 1' ' ' MET . . . 54.48 37.15 59.73 Favored Glycine 0 C--N 1.352 1.417 0 N-CA-C 115.155 0.822 . . . . 74.24 115.155 -175.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.56 ' HB2' ' HG3' ' A' ' 5' ' ' PRO . . . -79.5 152.76 30.02 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.942 0.497 . . . . 62.22 111.224 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -131.65 -164.96 1.51 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.62 0.768 . . . . 74.44 109.168 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.73 93.76 0.04 OUTLIER Glycine 0 C--N 1.356 1.652 0 O-C-N 124.183 0.927 . . . . 24.32 113.643 -173.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.89 4.8 31.44 Favored Glycine 0 C--N 1.35 1.313 0 N-CA-C 114.753 0.661 . . . . 72.01 114.753 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 22.1 m-20 -92.41 131.98 37.13 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 106.926 -1.509 . . . . 72.11 106.926 173.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -99.71 145.34 27.75 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.301 0.955 . . . . 75.13 111.375 -171.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.99 160.48 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.245 1.018 . . . . 63.52 108.918 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.82 120.4 24.02 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.886 0.475 . . . . 52.32 111.283 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.2 mt -99.76 86.33 3.29 Favored 'General case' 0 C--O 1.247 0.93 0 C-N-CA 124.029 0.932 . . . . 74.11 108.925 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.447 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 3.2 m-20 -78.68 92.86 4.81 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 114.925 -1.034 . . . . 71.31 109.283 173.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.648 ' HB3' HG21 ' A' ' 180' ' ' ILE . 20.6 m-85 -75.68 -22.67 56.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.671 0.388 . . . . 74.42 111.074 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.773 ' HB2' ' HB2' ' A' ' 58' ' ' PHE . 25.2 t30 -63.9 -37.68 88.29 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.871 -0.604 . . . . 70.23 110.507 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.583 ' HG ' HG12 ' A' ' 19' ' ' ILE . 1.9 mm? -100.83 14.48 31.58 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.103 -0.953 . . . . 70.12 110.832 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.09 135.0 54.0 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 108.373 -0.973 . . . . 74.54 108.373 167.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -99.2 159.61 14.86 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.411 0.624 . . . . 64.34 109.344 -169.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 -97.5 142.26 24.28 Favored Pre-proline 0 C--N 1.312 -1.023 0 N-CA-C 108.145 -1.057 . . . . 62.21 108.145 169.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' PRO . . . . . 0.438 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 99.9 Cg_exo -48.9 153.83 3.57 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 123.618 2.879 . . . . 74.43 114.535 176.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -64.93 -17.18 64.13 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 113.928 1.084 . . . . 75.25 113.928 -174.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 37.1 t -70.47 -11.36 60.87 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 122.983 0.513 . . . . 74.11 111.256 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.475 ' HB2' ' CG ' ' A' ' 128' ' ' TYR . . . -92.32 -0.12 57.41 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.028 0.931 . . . . 71.25 112.003 176.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -93.47 3.96 54.72 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.558 0.743 . . . . 74.45 109.66 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 119.33 -27.14 7.1 Favored Glycine 0 C--N 1.356 1.649 0 CA-C-N 115.502 -0.772 . . . . 71.21 112.281 172.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -97.64 -175.52 33.94 Favored Glycine 0 C--N 1.349 1.25 0 C-N-CA 122.91 0.291 . . . . 71.35 112.957 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 16.4 m -112.41 78.22 1.11 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.967 0.907 . . . . 71.33 109.182 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.558 ' HZ ' ' HA ' ' A' ' 38' ' ' ILE . 98.3 m-85 -96.49 176.53 6.0 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.003 0.521 . . . . 75.23 111.122 -177.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 79' ' ' ARG . 56.2 p -74.46 111.21 9.42 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.469 0.708 . . . . 53.44 111.093 -178.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 157' ' ' PRO . 39.0 m -126.6 111.52 14.44 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 108.695 -0.854 . . . . 32.42 108.695 178.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 75' ' ' LEU . . . -78.25 106.6 10.27 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 109.273 -0.64 . . . . 73.44 109.273 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 61.8 mt -59.85 127.27 85.16 Favored Pre-proline 0 CA--C 1.55 0.946 0 O-C-N 124.544 1.152 . . . . 75.12 110.069 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -67.9 151.92 77.67 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.92 2.413 . . . . 71.4 112.902 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -67.08 157.08 63.47 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 122.585 2.19 . . . . 72.13 111.47 168.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.02 65.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.276 0.63 . . . . 55.42 111.281 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.58 -22.51 66.13 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.423 1.089 . . . . 73.24 111.066 172.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -99.56 19.0 16.55 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.951 0.901 . . . . 72.23 110.335 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -93.05 118.75 31.54 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.396 -0.594 . . . . 73.21 109.396 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.454 HG11 HD13 ' A' ' 95' ' ' LEU . 40.7 t -96.36 121.02 61.33 Favored Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 107.602 -1.258 . . . . 73.12 107.602 171.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -78.65 61.43 7.99 Favored 'Trans proline' 0 C--N 1.372 1.796 0 C-N-CA 122.825 2.35 . . . . 74.1 112.016 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -151.59 145.72 25.32 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.937 1.295 . . . . 75.33 108.435 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -93.15 118.29 31.06 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.139 0.576 . . . . 70.25 109.75 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' ILE . . . . . 0.648 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -96.97 93.64 3.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 N-CA-C 106.526 -1.657 . . . . 51.43 106.526 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 20.8 p -89.21 78.29 7.34 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.62 0.724 . . . . 72.34 110.846 -174.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -96.69 126.06 41.59 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 106.159 -1.793 . . . . 71.53 106.159 173.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -87.35 100.29 2.57 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 120.278 -0.963 . . . . 65.44 115.127 -162.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' GLU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 52' ' ' PHE . 39.4 tt0 -133.87 146.06 50.23 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 105.193 -2.151 . . . . 64.42 105.193 147.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -74.24 126.7 31.2 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 107.978 -1.119 . . . . 62.02 107.978 168.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.509 ' HA ' ' NH2' ' A' ' 50' ' ' ARG . 85.9 t -129.96 124.93 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 105.184 -2.154 . . . . 53.01 105.184 169.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -112.33 106.09 14.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.994 -0.743 . . . . 73.31 108.994 -172.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -52.39 -21.8 4.01 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.117 0.967 . . . . 45.34 112.487 171.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -54.99 -47.09 75.09 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.15 1.38 . . . . 73.51 110.77 171.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.1 -60.89 1.63 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.707 0.803 . . . . 73.33 110.74 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 CA--C 1.555 1.159 0 C-N-CA 124.252 1.021 . . . . 73.11 109.691 -176.301 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ppp? . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.166 -0.309 . . . . 74.34 110.166 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 p -99.94 101.15 13.1 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 124.098 0.959 . . . . 61.12 109.347 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -82.68 128.65 5.36 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.166 1.911 . . . . 73.54 113.277 -174.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 mt -79.01 128.1 77.48 Favored Pre-proline 0 C--O 1.244 0.795 0 N-CA-C 108.132 -1.062 . . . . 74.04 108.132 166.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HG3' ' HB2' ' A' ' 141' ' ' ALA . 72.6 Cg_endo -71.81 122.79 8.83 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.969 1.779 . . . . 74.34 111.209 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 51.6 mt -161.08 -56.95 0.02 OUTLIER Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.427 1.491 . . . . 71.34 107.731 -179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 28.8 Cg_endo -88.5 30.69 0.42 Allowed 'Trans proline' 0 C--N 1.403 3.445 0 C-N-CA 121.94 1.76 . . . . 65.22 112.57 174.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 m -58.58 -33.3 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 108.924 -0.769 . . . . 53.41 108.924 167.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.466 HG21 ' HD2' ' A' ' 59' ' ' ARG . 10.2 t -91.95 96.4 10.35 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 107.783 -1.191 . . . . 43.21 107.783 163.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.1 m-20 -39.47 159.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 115.536 1.68 . . . . 62.41 115.536 174.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -49.96 138.84 14.75 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 114.571 -1.195 . . . . 73.44 110.428 169.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -43.73 -39.06 3.49 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 114.742 1.386 . . . . 74.53 114.742 -167.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.68 -57.35 13.05 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.699 0.761 . . . . 71.31 110.621 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -69.78 -25.09 63.63 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 114.442 -1.254 . . . . 63.11 111.865 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.486 ' O ' HG13 ' A' ' 19' ' ' ILE . 31.7 t90 -75.98 -47.94 23.03 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.364 1.066 . . . . 64.21 109.923 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -58.98 -36.0 74.13 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.714 0.633 . . . . 65.2 109.939 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.56 83.1 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 123.762 0.664 . . . . 74.22 112.054 172.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 2.8 mmp_? -58.6 -48.35 81.26 Favored 'General case' 0 C--N 1.371 1.527 0 N-CA-C 109.699 -0.482 . . . . 65.23 109.699 174.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 15' ' ' TRP . 25.0 mt -65.77 -50.89 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 124.121 0.888 . . . . 72.31 110.794 -176.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 -49.55 71.59 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.048 0.939 . . . . 62.25 112.043 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.72 -45.4 75.18 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.844 0.458 . . . . 43.31 110.946 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.47 -48.78 79.55 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.622 0.769 . . . . 72.21 111.217 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 13.9 ptt180 -70.54 -35.99 73.43 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 119.0 -0.524 . . . . 74.33 110.744 -175.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.52 81.98 Favored 'General case' 0 C--N 1.359 0.984 0 O-C-N 123.581 0.551 . . . . 72.44 110.821 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.27 -47.55 85.52 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.737 1.215 . . . . 72.4 110.116 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 158' ' ' PHE . 42.8 mmtm -79.19 -16.34 56.72 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.87 -1.059 . . . . 73.44 112.219 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 23' ' ' ARG . 7.4 t70 -77.0 -45.78 26.14 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 110.11 -0.33 . . . . 65.11 110.11 174.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.18 -27.94 61.05 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 115.726 -0.67 . . . . 73.12 110.105 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -40.44 -64.33 0.53 Allowed 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.954 1.701 . . . . 75.21 113.53 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.697 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -58.32 -19.71 37.18 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 112.47 0.544 . . . . 62.21 112.47 -174.305 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.79 -42.99 8.83 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.248 0.619 . . . . 62.44 111.419 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.6 p -100.29 12.7 36.5 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.549 1.139 . . . . 74.14 112.191 -170.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -144.56 132.99 21.95 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.668 -0.696 . . . . 75.33 111.069 -175.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.35 -8.3 59.63 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.302 -1.317 . . . . 60.34 110.695 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -60.51 -36.54 78.59 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 123.7 0.8 . . . . 64.53 110.78 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.1 m -157.64 79.23 3.44 Favored Pre-proline 0 CA--C 1.549 0.939 0 N-CA-C 107.541 -1.281 . . . . 72.45 107.541 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -78.79 153.01 25.71 Favored 'Trans proline' 0 C--N 1.374 1.881 0 C-N-CA 122.885 2.39 . . . . 63.15 113.222 -171.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.433 HG23 ' HB2' ' A' ' 43' ' ' ARG . 14.8 tt -95.55 135.26 23.25 Favored Pre-proline 0 CA--C 1.565 1.532 0 CA-C-N 114.817 -1.083 . . . . 64.23 108.159 172.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.09 149.81 51.36 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 123.624 2.882 . . . . 73.25 112.901 -175.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.82 -31.6 26.84 Favored 'Trans proline' 0 C--N 1.384 2.397 0 C-N-CA 124.406 3.404 . . . . 61.3 114.818 -171.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.23 -47.27 65.21 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.83 0.452 . . . . 74.42 111.291 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -81.88 -24.02 35.96 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.731 0.413 . . . . 71.11 109.974 -177.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.433 ' HB2' HG23 ' A' ' 38' ' ' ILE . 67.1 ttt180 -68.57 -34.91 76.64 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.109 0.964 . . . . 73.53 110.762 170.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.97 -42.0 60.47 Favored Glycine 0 C--N 1.347 1.176 0 N-CA-C 111.356 -0.698 . . . . 75.35 111.356 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.54 14.04 10.74 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.512 0.725 . . . . 71.35 112.058 176.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -73.0 117.31 14.57 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 121.452 0.644 . . . . 64.32 110.834 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -116.49 -63.14 1.49 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.101 -1.409 . . . . 73.43 107.904 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.68 148.56 7.93 Favored Glycine 0 C--N 1.341 0.857 0 CA-C-N 115.318 -0.855 . . . . 63.51 111.805 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 187' ' ' ASP . 2.8 mm? -87.31 151.01 23.47 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.492 0.717 . . . . 72.52 110.241 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -79.2 148.36 32.29 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.642 -0.708 . . . . 63.43 110.317 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -129.24 131.41 47.04 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 108.013 -1.106 . . . . 63.12 108.013 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.506 ' HB2' ' H ' ' A' ' 184' ' ' GLU . 2.8 m-85 -65.55 162.06 18.91 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.121 0.569 . . . . 70.41 109.911 175.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.87 122.05 16.84 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.855 0.862 . . . . 73.2 110.781 -173.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.449 HG21 HD13 ' A' ' 19' ' ' ILE . 38.9 mt -67.61 112.32 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 124.013 0.925 . . . . 62.43 110.071 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -113.74 130.01 56.49 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.275 -0.875 . . . . 73.53 111.002 -168.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.69 -27.01 45.02 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.14 0.976 . . . . 55.14 112.527 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.9 t -73.37 -18.56 61.15 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.602 0.361 . . . . 52.32 111.094 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -89.48 18.31 5.44 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.888 0.475 . . . . 74.1 111.044 172.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 53.3 ttp180 -105.48 92.02 4.02 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.972 -1.121 . . . . 63.23 107.972 167.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.5 m -98.96 157.62 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 116.006 -0.543 . . . . 75.23 110.451 -174.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.16 119.9 30.87 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 108.667 -0.864 . . . . 54.44 108.667 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -111.99 122.64 48.32 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.621 0.768 . . . . 74.04 110.474 -173.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -74.39 110.84 9.01 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.507 0.67 . . . . 74.51 109.676 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -79.89 112.19 16.94 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 114.301 -1.318 . . . . 73.41 109.254 -173.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -105.34 100.95 28.39 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 108.226 -1.027 . . . . 75.23 108.226 172.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HD2' ' HA2' ' A' ' 143' ' ' GLY . 35.2 Cg_endo -62.62 137.54 64.65 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 121.911 1.74 . . . . 64.21 109.735 175.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.7 103.19 0.66 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.4 -0.592 . . . . 33.14 109.4 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -55.64 -31.54 62.41 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 113.748 -1.569 . . . . 61.33 110.425 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.85 101.33 12.84 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 124.263 1.025 . . . . 73.43 109.423 165.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.12 122.03 7.32 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.524 2.149 . . . . 71.21 111.923 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.8 149.0 50.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.225 0.61 . . . . 61.53 110.263 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.41 115.58 20.82 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.041 0.936 . . . . 61.14 109.442 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 11.7 m -106.71 161.88 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.407 1.083 . . . . 75.22 109.792 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -98.52 113.72 25.85 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.262 1.025 . . . . 60.24 110.15 -177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 170' ' ' PRO . 1.9 mm? -104.03 133.61 48.69 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 106.597 -1.631 . . . . 65.34 106.597 168.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.51 162.0 28.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 117.8 0.273 . . . . 71.32 110.424 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.9 p -136.36 163.07 31.31 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.962 0.41 . . . . 73.22 109.999 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.0 p -103.43 -8.63 20.03 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.099 0.959 . . . . 72.25 110.295 173.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.408 ' HB2' ' HA ' ' A' ' 166' ' ' SER . 14.8 tpt180 -73.57 -33.7 64.78 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.942 0.897 . . . . 73.04 111.535 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.32 -120.37 1.06 Allowed Glycine 0 C--N 1.344 1.019 0 CA-C-O 118.484 -1.176 . . . . 64.53 111.137 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 43.9 Cg_exo -56.73 138.22 84.39 Favored 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 123.386 2.724 . . . . 64.34 112.164 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 17.2 Cg_exo -63.33 164.46 20.2 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.519 2.146 . . . . 71.55 113.178 -176.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.55 126.25 52.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.293 1.037 . . . . 74.01 111.044 -173.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 45.3 mt-10 -83.21 128.39 34.45 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.614 0.766 . . . . 61.55 109.963 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.481 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 53.5 m-85 -132.62 139.77 47.91 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 108.99 -0.745 . . . . 75.24 108.99 175.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.3 m -95.48 125.37 40.04 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.086 -0.709 . . . . 61.14 109.086 -175.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -73.75 115.69 13.47 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.365 -0.606 . . . . 73.13 109.365 -177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.561 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -98.57 -33.25 11.06 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.363 0.665 . . . . 64.34 110.636 -177.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.33 167.68 25.43 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.607 -0.724 . . . . 32.14 110.865 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.7 t -138.48 117.49 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.222 1.409 . . . . 62.51 107.947 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.635 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 1.9 mm? -93.55 131.94 38.33 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.24 0.616 . . . . 74.11 111.145 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.82 114.7 3.4 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 110.784 -0.926 . . . . 63.12 110.784 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.461 ' HE2' HD12 ' A' ' 95' ' ' LEU . 24.7 p90 -146.86 140.83 26.02 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.694 0.798 . . . . 73.44 109.855 -166.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 4.1 m-20 -81.36 146.98 30.05 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.81 0.444 . . . . 72.21 110.022 172.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.461 HD12 ' HE2' ' A' ' 93' ' ' PHE . 2.0 tt -158.37 127.34 5.58 Favored 'General case' 0 C--O 1.249 1.029 0 N-CA-C 107.085 -1.45 . . . . 70.41 107.085 -174.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.67 -91.94 1.09 Allowed Glycine 0 C--N 1.351 1.404 0 N-CA-C 109.762 -1.335 . . . . 41.41 109.762 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -133.51 -15.57 2.44 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.121 1.369 . . . . 74.11 110.477 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.9 m -117.96 147.56 43.04 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.979 0.419 . . . . 70.22 111.569 -165.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 20.6 p-80 -84.69 123.05 29.94 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 108.712 -0.847 . . . . 64.0 108.712 174.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -116.74 149.96 39.03 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.656 1.582 . . . . 71.34 109.001 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 m -129.2 126.74 39.85 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.94 -0.763 . . . . 71.42 108.94 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.8 tp -132.68 141.42 48.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.489 0.716 . . . . 71.33 109.37 -165.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.5 m -93.4 132.05 38.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.953 0.406 . . . . 71.1 111.007 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.526 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -106.02 116.94 32.8 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.259 1.024 . . . . 73.51 108.768 177.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.481 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 38.8 m-85 -93.84 171.54 8.8 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.399 0.619 . . . . 74.33 111.64 -175.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.561 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 48.2 ttt180 -116.35 119.1 34.61 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.811 1.244 . . . . 70.14 107.894 -172.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 54.6 t -109.9 124.03 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.776 0.83 . . . . 63.42 109.179 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.31 143.05 56.38 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.961 0.504 . . . . 74.45 110.013 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 83.7 -31.02 3.37 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-O 120.009 -0.328 . . . . 73.01 113.495 -174.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -106.12 121.9 45.09 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.887 0.875 . . . . 64.12 110.427 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.5 m -77.86 -11.28 59.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.702 0.801 . . . . 64.14 112.07 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.5 m -87.17 145.76 26.28 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.092 0.557 . . . . 41.03 110.043 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.451 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 53.1 mt -82.3 127.34 33.12 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.066 0.946 . . . . 63.41 108.545 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.89 113.02 24.53 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.817 -1.179 . . . . 63.14 107.817 -172.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 104' ' ' ALA . 21.6 t -110.04 98.2 33.51 Favored Pre-proline 0 N--CA 1.475 0.779 0 C-N-CA 123.493 0.717 . . . . 75.41 109.391 -177.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -84.59 123.67 2.96 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 123.373 2.716 . . . . 53.02 109.944 168.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 6.3 p90 -148.48 166.11 29.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.482 0.658 . . . . 74.43 110.416 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.5 p -128.19 163.12 25.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.559 -1.2 . . . . 71.53 107.851 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -160.02 -166.15 1.65 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.105 0.562 . . . . 62.02 109.873 -174.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -77.75 -27.31 50.36 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 111.94 0.348 . . . . 64.11 111.94 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.7 m -77.6 -35.07 53.25 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.406 0.682 . . . . 54.33 112.126 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.415 HG23 ' HE ' ' A' ' 132' ' ' ARG . 23.7 p -66.42 -36.3 82.47 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 120.975 0.417 . . . . 75.34 110.161 170.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.87 -28.77 69.77 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.086 -0.961 . . . . 75.2 111.155 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.47 -19.85 64.58 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.224 1.01 . . . . 65.03 111.435 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 89.86 -21.95 27.71 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 115.501 0.96 . . . . 75.21 115.501 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -76.01 -7.59 55.01 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.062 0.931 . . . . 75.0 112.983 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.8 p -129.31 164.96 22.41 Favored 'General case' 0 C--O 1.246 0.917 0 N-CA-C 107.68 -1.23 . . . . 35.01 107.68 160.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 186' ' ' VAL . 98.7 m-85 -58.3 112.56 1.6 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.368 0.877 . . . . 72.03 113.368 -164.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -57.8 -26.65 62.23 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.749 1.219 . . . . 63.04 111.798 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.549 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 98.6 m-70 -69.34 -13.17 62.23 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.108 0.963 . . . . 75.15 111.564 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.79 162.82 11.32 Favored Glycine 0 C--N 1.339 0.714 0 N-CA-C 110.744 -0.942 . . . . 53.34 110.744 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.415 ' HE ' HG23 ' A' ' 122' ' ' THR . 11.0 ptp180 -122.91 141.39 51.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.798 -1.556 . . . . 70.33 106.798 173.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.411 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 80.7 m-85 -96.75 167.99 10.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.332 0.587 . . . . 63.02 110.644 175.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.411 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 4.0 tt -150.9 130.57 13.11 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 106.384 -1.71 . . . . 75.22 106.384 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -100.67 124.6 46.51 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 108.583 -0.895 . . . . 75.02 108.583 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.2 t -113.67 123.22 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.125 -1.065 . . . . 72.24 108.125 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -89.84 119.22 69.42 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 107.918 -1.142 . . . . 73.12 107.918 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.27 -31.6 63.17 Favored 'Trans proline' 0 C--N 1.372 1.799 0 C-N-CA 122.415 2.077 . . . . 61.21 112.975 -177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.4 -82.75 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.735 1.214 . . . . 73.12 113.207 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -150.82 25.48 1.04 Allowed Glycine 0 C--N 1.343 0.941 0 C-N-CA 123.58 0.609 . . . . 65.32 112.066 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.405 ' HB2' ' HG3' ' A' ' 5' ' ' PRO . . . -67.44 105.35 1.78 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.465 1.106 . . . . 74.3 112.138 -175.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -86.46 169.98 12.37 Favored 'General case' 0 C--O 1.249 1.07 0 CA-C-N 115.091 -0.959 . . . . 53.43 109.21 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 66' ' ' PRO . . . -56.2 103.09 0.22 Allowed Glycine 0 C--N 1.342 0.913 0 O-C-N 123.696 0.623 . . . . 65.42 113.555 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 105.01 10.14 32.91 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-O 119.284 -0.731 . . . . 63.25 114.145 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.18 177.27 9.13 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 117.743 0.771 . . . . 75.43 109.446 172.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -119.51 143.84 47.34 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.077 0.465 . . . . 74.1 110.505 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.15 144.06 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 107.782 -1.192 . . . . 61.3 107.782 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.88 110.81 14.42 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 110.12 -0.326 . . . . 74.14 110.12 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 16.1 mt -92.71 86.22 5.48 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 108.255 -1.017 . . . . 73.05 108.255 171.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -87.21 102.73 14.76 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 114.815 -1.084 . . . . 70.12 108.195 171.422 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -66.57 -16.65 64.32 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.315 -1.311 . . . . 45.33 110.434 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -75.63 -0.67 21.41 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.598 0.759 . . . . 73.4 112.209 173.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 153' ' ' LEU . 3.3 mm? -110.74 -0.38 17.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.879 0.872 . . . . 75.1 111.396 168.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.13 140.21 21.48 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 123.945 0.778 . . . . 72.25 112.593 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.411 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 68.9 t80 -97.07 160.91 14.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.623 1.169 . . . . 61.44 108.809 -172.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 185' ' ' ARG . 7.5 p30 -129.84 153.5 80.91 Favored Pre-proline 0 N--CA 1.476 0.859 0 N-CA-C 108.975 -0.75 . . . . 73.25 108.975 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.92 120.67 7.55 Favored 'Trans proline' 0 C--N 1.371 1.756 0 C-N-CA 120.898 1.066 . . . . 45.55 110.206 171.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 26' ' ' LYS . 82.9 m-85 -86.41 -15.63 39.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.937 0.495 . . . . 74.22 110.71 175.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' CYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 165' ' ' PHE . 35.9 m -57.1 -33.02 66.89 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.433 1.093 . . . . 73.12 111.014 169.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.16 -15.64 63.83 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.248 1.019 . . . . 73.22 112.95 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' TYR . . . . . 0.423 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 29.5 m-85 -71.39 8.37 1.07 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 114.111 1.152 . . . . 60.15 114.111 -177.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 114.34 -10.6 22.1 Favored Glycine 0 N--CA 1.474 1.214 0 CA-C-N 118.763 0.711 . . . . 52.23 113.355 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -74.01 -155.8 4.08 Favored Glycine 0 C--N 1.353 1.476 0 CA-C-N 117.38 0.59 . . . . 41.23 112.711 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 49.9 m -76.75 100.74 5.55 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 107.106 -1.442 . . . . 62.44 107.106 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 159' ' ' CYS . 7.8 p90 -80.89 78.11 7.72 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 122.725 1.25 . . . . 72.01 111.131 -164.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 79' ' ' ARG . 22.2 p -98.01 94.24 6.75 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 113.553 -1.658 . . . . 61.45 109.322 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 130' ' ' HIS . 6.9 p -122.52 135.95 54.77 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.292 -1.003 . . . . 72.12 108.292 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -85.25 93.76 8.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.243 0.617 . . . . 75.21 109.77 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.36 111.83 5.36 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 124.478 1.111 . . . . 73.33 109.46 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.566 ' HB2' ' HB2' ' A' ' 174' ' ' ASN . 56.7 Cg_endo -83.42 152.02 13.59 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 122.429 2.086 . . . . 73.4 111.772 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.87 176.35 1.88 Allowed 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.907 2.405 . . . . 70.33 113.289 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -67.27 -15.96 64.0 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.323 0.649 . . . . 50.15 111.547 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.71 -23.68 66.15 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.987 0.915 . . . . 73.25 111.264 172.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.566 ' HB2' ' HB2' ' A' ' 170' ' ' PRO . 36.8 m-80 -112.82 36.17 3.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.918 0.887 . . . . 71.0 109.644 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -116.47 115.14 25.26 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.753 -0.832 . . . . 72.15 108.753 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.448 HG11 HD13 ' A' ' 95' ' ' LEU . 60.9 t -86.2 119.46 71.67 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 108.894 -0.78 . . . . 64.43 108.894 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.54 58.89 4.69 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 123.169 2.579 . . . . 64.03 112.205 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.33 152.18 31.79 Favored 'General case' 0 C--O 1.251 1.183 0 C-N-CA 124.529 1.131 . . . . 62.42 108.923 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -85.35 104.86 15.55 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.832 -0.622 . . . . 70.03 109.374 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 1.8 mp -91.45 89.59 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 104.385 -2.45 . . . . 73.3 104.385 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 2.4 m -119.35 73.19 0.93 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.316 1.055 . . . . 70.12 108.434 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -108.91 -163.05 0.84 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 113.589 -1.641 . . . . 72.12 108.589 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -71.89 100.69 0.95 Allowed Glycine 0 C--N 1.356 1.671 0 N-CA-C 110.203 -1.159 . . . . 55.42 110.203 170.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' GLU . . . . . 0.506 ' H ' ' HB2' ' A' ' 52' ' ' PHE . 6.3 pt-20 -133.21 144.58 49.9 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.092 1.357 . . . . 70.44 108.318 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.502 HH22 HD23 ' A' ' 49' ' ' LEU . 10.8 ptm180 -106.86 179.67 4.2 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.713 0.768 . . . . 61.12 111.603 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.577 HG22 ' H ' ' A' ' 187' ' ' ASP . 8.7 p -173.2 -169.47 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 CA-C-N 113.629 -1.623 . . . . 75.43 106.904 -167.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' ASP . . . . . 0.577 ' H ' HG22 ' A' ' 186' ' ' VAL . 9.8 p-10 -116.85 93.29 4.14 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 106.087 -1.82 . . . . 71.32 106.087 168.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -93.08 -2.76 55.2 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.206 -0.934 . . . . 72.02 110.517 -171.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -64.55 -39.96 94.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.647 0.779 . . . . 72.3 108.939 167.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -93.84 -66.8 0.89 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.318 -0.855 . . . . 73.23 109.347 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 . . . . . 0 CA--C 1.556 1.204 0 C-N-CA 123.698 0.799 . . . . 64.15 112.333 178.505 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 108.956 -0.757 . . . . 62.41 108.956 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -74.03 -50.5 5.27 Favored Pre-proline 0 CA--C 1.563 1.46 0 CA-C-O 118.743 -0.646 . . . . 64.3 109.995 174.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -89.45 171.97 4.21 Favored 'Trans proline' 0 C--N 1.393 2.902 0 C-N-CA 121.331 1.354 . . . . 52.41 111.65 167.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.81 138.42 85.49 Favored Pre-proline 0 N--CA 1.48 1.04 0 C-N-CA 123.689 0.795 . . . . 64.51 110.139 171.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.94 123.69 11.64 Favored 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.548 2.165 . . . . 71.51 110.885 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 36.3 mt -167.32 -58.63 0.01 OUTLIER Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 125.482 1.513 . . . . 73.0 108.409 -170.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 21.4 Cg_endo -88.49 28.58 0.48 Allowed 'Trans proline' 0 C--N 1.397 3.124 0 C-N-CA 122.381 2.054 . . . . 71.15 111.787 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.3 m -71.08 -20.89 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.885 0.874 . . . . 73.42 111.037 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -85.02 91.73 8.16 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 107.79 -1.189 . . . . 73.12 107.79 164.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 6.5 t0 -34.96 147.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.852 1.661 . . . . 45.14 114.875 177.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -54.12 138.38 38.11 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.746 0.819 . . . . 73.43 111.136 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -40.83 -42.19 1.75 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 126.239 1.816 . . . . 64.34 115.514 -163.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.35 -59.44 5.0 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.085 0.554 . . . . 73.42 110.462 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -72.16 -19.93 61.68 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.038 -0.983 . . . . 73.32 111.415 -178.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.484 ' O ' HG13 ' A' ' 19' ' ' ILE . 27.2 t90 -66.21 -55.03 18.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.604 1.162 . . . . 73.14 109.507 174.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' HA ' HD12 ' A' ' 19' ' ' ILE . 77.2 mtt-85 -61.93 -30.35 70.84 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.58 -0.736 . . . . 74.24 111.016 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.52 93.98 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 119.146 -0.454 . . . . 62.24 111.289 170.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 8.6 mmp_? -58.23 -49.57 76.62 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.963 0.505 . . . . 71.34 110.466 177.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 15' ' ' TRP . 19.9 mt -63.49 -58.63 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 115.461 -0.79 . . . . 73.42 110.504 -175.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.36 -39.45 75.99 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.095 0.872 . . . . 61.2 112.009 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -47.58 70.08 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.689 0.396 . . . . 71.32 111.694 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -67.32 -38.82 85.52 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 121.108 0.48 . . . . 75.33 110.421 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.522 ' NH1' ' HB2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -68.84 -34.24 75.15 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 114.798 -1.092 . . . . 70.24 109.628 178.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.63 -36.56 70.8 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.65 0.78 . . . . 75.11 111.309 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.19 -42.01 98.89 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.242 0.617 . . . . 52.21 109.851 173.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -29.57 65.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.462 -0.79 . . . . 72.43 111.687 174.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -62.23 -47.98 82.03 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.311 0.644 . . . . 75.02 109.818 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.06 -19.29 44.11 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.579 -0.737 . . . . 74.21 112.38 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.444 ' O ' ' HB3' ' A' ' 33' ' ' HIS . 42.2 t80 -56.52 -51.92 66.7 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 112.96 0.726 . . . . 74.42 112.96 -176.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.654 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -85.28 -18.82 32.76 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 111.633 0.234 . . . . 72.12 111.633 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.98 -54.88 6.2 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.273 0.629 . . . . 54.42 111.371 -176.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 t -120.85 -50.63 2.17 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.371 0.669 . . . . 64.21 112.004 -173.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 8.8 t-80 -44.85 115.34 0.86 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.192 0.997 . . . . 75.53 111.27 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.84 -17.82 57.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.683 1.193 . . . . 50.54 113.974 -167.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -69.22 -20.4 63.96 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.095 0.558 . . . . 61.14 112.012 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 t -143.0 106.05 5.26 Favored Pre-proline 0 C--N 1.345 0.41 0 N-CA-C 108.652 -0.87 . . . . 74.45 108.652 -169.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -91.22 123.28 0.8 Allowed 'Trans proline' 0 CA--C 1.552 1.402 0 C-N-CA 122.492 2.128 . . . . 62.13 111.867 168.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.654 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 18.3 tt -80.4 142.57 54.4 Favored Pre-proline 0 N--CA 1.477 0.887 0 N-CA-C 107.085 -1.45 . . . . 75.1 107.085 165.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -43.44 131.41 6.99 Favored 'Trans proline' 0 CA--C 1.559 1.766 0 C-N-CA 123.097 2.531 . . . . 72.02 113.687 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.42 -33.28 46.06 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 123.788 2.992 . . . . 62.0 112.851 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.61 92.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.804 0.842 . . . . 72.55 111.767 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.01 -38.27 32.43 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.166 0.586 . . . . 63.33 110.941 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HB2' HG23 ' A' ' 38' ' ' ILE . 44.0 ttp85 -63.66 -29.78 70.97 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.78 0.675 . . . . 60.03 111.386 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.64 -44.27 96.7 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 116.112 -0.494 . . . . 71.11 112.357 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.43 17.39 16.21 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.762 0.825 . . . . 74.12 111.888 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -76.83 122.55 24.96 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.144 0.578 . . . . 72.14 110.423 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -136.61 -17.42 1.49 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.347 0.659 . . . . 75.32 111.084 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.03 122.44 0.61 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 111.787 -0.525 . . . . 75.31 111.787 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.522 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 65.4 mt -64.49 147.38 52.88 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.501 0.721 . . . . 62.22 111.622 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -81.9 134.47 35.4 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.286 -0.87 . . . . 72.04 110.626 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -160.64 147.39 15.44 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.73 -1.123 . . . . 64.21 108.727 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -73.38 161.72 30.14 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.537 -0.542 . . . . 75.51 109.537 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.06 145.9 44.09 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.37 -0.377 . . . . 71.1 110.683 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -65.3 115.86 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.438 0.695 . . . . 75.3 110.15 -171.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -105.36 131.21 53.08 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.431 0.692 . . . . 62.41 109.938 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.59 -21.85 47.98 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.785 0.834 . . . . 64.51 111.98 -175.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.6 m -79.45 -19.42 49.89 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 122.138 -0.351 . . . . 62.31 110.469 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -86.46 11.77 11.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.318 0.647 . . . . 75.24 112.391 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.515 ' HB3' ' ND2' ' A' ' 152' ' ' ASN . 36.9 ptt180 -109.68 108.2 18.5 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 108.327 -0.99 . . . . 72.14 108.327 164.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.6 m -103.01 170.57 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 120.969 0.414 . . . . 74.34 110.57 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.43 108.38 18.88 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.677 -1.231 . . . . 53.54 107.677 175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.36 134.29 47.0 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.993 0.917 . . . . 72.2 109.937 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -74.68 117.45 16.53 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.486 0.714 . . . . 72.53 109.799 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -83.05 124.22 30.23 Favored 'General case' 0 C--O 1.251 1.156 0 C-N-CA 124.994 1.317 . . . . 74.22 110.128 -174.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -125.8 112.28 24.85 Favored Pre-proline 0 C--O 1.214 -0.783 0 N-CA-C 108.482 -0.933 . . . . 72.45 108.482 167.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.94 163.69 36.31 Favored 'Trans proline' 0 C--N 1.369 1.641 0 C-N-CA 122.455 2.103 . . . . 64.34 111.741 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.82 97.69 3.34 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.488 -0.931 . . . . 63.23 108.488 172.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -58.3 -27.17 63.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.225 1.01 . . . . 71.44 110.963 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -128.17 93.44 38.91 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 107.57 -1.27 . . . . 53.14 107.57 167.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.7 128.5 12.61 Favored 'Trans proline' 0 C--N 1.367 1.542 0 C-N-CA 121.997 1.798 . . . . 70.34 111.389 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -131.0 152.2 50.57 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.77 0.828 . . . . 74.23 110.853 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.15 113.15 23.49 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.587 0.755 . . . . 75.42 109.352 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 33.8 m -105.68 156.65 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 123.775 0.83 . . . . 72.41 109.958 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.508 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 44.8 mt-10 -102.04 116.36 32.52 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.37 0.668 . . . . 54.55 109.611 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.431 HD23 ' HD2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -114.41 124.37 51.77 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.143 -1.428 . . . . 74.13 107.143 174.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -60.36 152.7 24.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.367 0.667 . . . . 70.35 109.873 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.2 p -117.66 163.62 16.2 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.483 0.583 . . . . 74.01 110.721 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.9 p -74.72 -27.88 60.56 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.212 -0.904 . . . . 70.01 109.946 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -72.97 -32.46 65.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.263 -0.881 . . . . 70.12 111.442 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.23 -120.39 1.13 Allowed Glycine 0 C--N 1.346 1.13 0 CA-C-O 118.844 -0.976 . . . . 63.33 112.465 -171.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -50.83 143.76 28.96 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.269 3.313 . . . . 72.14 114.128 -172.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -61.87 139.03 77.63 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 122.874 2.383 . . . . 64.54 112.691 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.35 128.63 44.34 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.069 1.347 . . . . 75.01 109.093 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.51 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 40.0 mt-10 -94.06 127.84 40.1 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.075 0.55 . . . . 73.21 110.084 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.46 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 59.1 m-85 -131.02 139.03 49.9 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.998 0.519 . . . . 54.21 110.98 -177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -80.98 130.94 35.26 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.436 -0.802 . . . . 60.23 109.284 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -70.85 116.08 10.73 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.658 0.383 . . . . 72.25 110.032 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.66 -51.1 8.05 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.433 0.693 . . . . 44.12 111.457 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.9 175.23 12.75 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.369 -0.832 . . . . 64.23 110.93 -171.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.86 125.05 34.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 C-N-CA 125.474 1.51 . . . . 70.41 107.145 171.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -104.01 135.25 45.87 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.485 1.114 . . . . 41.34 110.431 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -116.16 122.63 5.6 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 111.14 -0.784 . . . . 53.44 111.14 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.69 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 39.8 p90 -143.92 -175.89 4.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.278 0.631 . . . . 75.1 110.775 -171.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -121.56 142.49 50.04 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.997 0.919 . . . . 64.54 109.741 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.5 mt -149.05 129.28 13.69 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.529 1.132 . . . . 75.42 108.609 175.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.12 -104.02 1.03 Allowed Glycine 0 C--N 1.35 1.331 0 O-C-N 123.538 0.524 . . . . 44.4 113.047 173.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -108.52 -18.26 13.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.43 1.092 . . . . 75.44 110.52 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 m -133.55 154.78 50.59 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 122.156 0.979 . . . . 70.32 113.398 -163.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -85.61 124.9 32.68 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.16 -1.382 . . . . 74.51 108.125 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -125.58 147.65 49.21 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.793 0.837 . . . . 75.12 109.24 -171.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.32 162.06 16.51 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.909 -0.775 . . . . 71.33 108.909 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.69 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 4.5 tp -147.35 128.65 14.81 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 109.244 -0.65 . . . . 75.4 109.244 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.0 m -87.15 123.04 31.77 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.108 0.48 . . . . 61.03 110.458 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -101.55 124.07 46.61 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.442 1.097 . . . . 54.13 109.701 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.46 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 25.6 m-85 -96.69 175.93 6.19 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.658 0.783 . . . . 55.32 110.084 175.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.598 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 72.4 ttt180 -128.97 129.88 45.99 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.707 -0.849 . . . . 64.41 108.707 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.698 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 15.3 t -82.16 152.93 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 108.836 -0.801 . . . . 62.54 108.836 175.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.26 114.48 6.77 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 122.888 0.475 . . . . 45.24 110.462 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.96 28.01 47.61 Favored Glycine 0 N--CA 1.475 1.245 0 CA-C-N 116.337 -0.392 . . . . 64.51 112.427 171.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.698 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -80.71 175.98 10.2 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.039 1.336 . . . . 74.54 112.474 -171.611 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 79.3 p -113.81 -34.43 5.47 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.626 -0.879 . . . . 75.14 108.626 161.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.6 m -121.67 153.45 38.15 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.427 -1.261 . . . . 74.14 110.984 -173.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 19.6 mt -83.3 140.52 32.42 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.712 1.205 . . . . 65.21 110.528 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -92.32 98.1 11.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.779 1.232 . . . . 60.44 108.856 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.4 t -107.77 107.18 60.01 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 122.454 0.302 . . . . 64.14 110.217 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -81.14 153.72 18.96 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.966 2.444 . . . . 71.02 110.822 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -168.64 159.46 10.02 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 121.638 0.732 . . . . 73.43 112.212 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 170' ' ' PRO . 4.3 p -134.31 151.8 51.45 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.784 -1.553 . . . . 75.34 108.928 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.483 ' CG ' HH22 ' A' ' 132' ' ' ARG . 2.9 m-20 -117.04 -161.86 0.83 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.505 1.122 . . . . 74.52 110.207 -168.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -79.05 -34.24 43.93 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.157 0.983 . . . . 73.12 108.943 155.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.2 m -59.2 -30.82 68.5 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.359 1.464 . . . . 55.43 111.611 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.677 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 14.2 p -70.92 -49.72 42.64 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.064 0.945 . . . . 73.54 111.075 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.57 -18.33 60.59 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 115.652 -0.704 . . . . 64.12 111.387 -177.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -84.5 -9.06 58.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.258 0.623 . . . . 61.01 110.614 172.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.64 6.72 86.97 Favored Glycine 0 C--N 1.352 1.434 0 N-CA-C 115.571 0.989 . . . . 64.01 115.571 169.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -77.57 -44.94 26.83 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 117.843 0.821 . . . . 73.45 109.981 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.668 ' HA ' ' HA ' ' A' ' 186' ' ' VAL . 75.3 p -111.58 155.05 23.93 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.116 0.966 . . . . 73.11 110.522 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.466 ' HB3' ' HD2' ' A' ' 132' ' ' ARG . 7.5 t80 -53.31 104.89 0.11 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.854 1.262 . . . . 70.04 112.469 -169.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.677 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 0.0 OUTLIER -63.32 -25.49 68.33 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.608 1.163 . . . . 73.22 112.369 -174.632 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -77.38 -6.47 53.45 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 115.623 -0.717 . . . . 70.04 111.745 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 128.72 161.74 10.75 Favored Glycine 0 C--N 1.347 1.143 0 CA-C-N 116.359 -0.382 . . . . 65.15 112.921 170.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.665 ' HE ' ' HB ' ' A' ' 127' ' ' THR . 0.0 OUTLIER -136.67 167.12 22.02 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.882 0.873 . . . . 72.32 108.893 169.144 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -118.49 164.57 15.08 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.705 0.764 . . . . 74.43 111.646 -175.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.507 ' HA ' ' HD1' ' A' ' 155' ' ' TYR . 1.6 tt -147.44 119.24 8.09 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 105.889 -1.893 . . . . 53.51 105.889 171.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.465 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 3.7 p30 -86.54 112.21 21.33 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.745 -1.206 . . . . 73.45 107.745 171.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 66.7 t -105.86 120.5 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.917 -0.771 . . . . 74.01 108.917 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -78.33 120.94 82.99 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 108.252 -1.018 . . . . 72.43 108.252 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.1 -31.3 95.25 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.855 2.37 . . . . 31.41 112.578 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 47.82 36.37 5.81 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.546 1.138 . . . . 71.4 112.678 -176.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 55.82 42.07 84.98 Favored Glycine 0 C--N 1.35 1.356 0 CA-C-N 115.777 -0.647 . . . . 44.14 114.543 -174.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -80.66 163.29 23.71 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.771 0.428 . . . . 71.55 111.038 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -146.92 175.58 10.55 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 108.96 -0.755 . . . . 73.23 108.96 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -58.16 112.07 3.62 Favored Glycine 0 C--N 1.348 1.22 0 N-CA-C 114.249 0.46 . . . . 43.55 114.249 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.37 -3.49 32.93 Favored Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.624 -0.542 . . . . 75.5 113.498 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -80.98 -179.88 7.54 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 117.429 0.615 . . . . 72.33 109.664 168.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -129.99 156.08 45.06 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.611 0.719 . . . . 63.21 109.264 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.65 158.69 41.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.582 -1.266 . . . . 55.05 107.582 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.87 115.78 24.51 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.814 -0.81 . . . . 71.3 108.814 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.2 mt -92.18 85.81 5.57 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 107.847 -1.168 . . . . 64.35 107.847 171.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.486 ' HB3' HD23 ' A' ' 153' ' ' LEU . 3.5 m-20 -74.81 93.71 2.66 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 113.73 -1.577 . . . . 71.3 108.053 173.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.651 ' HB3' HG21 ' A' ' 180' ' ' ILE . 22.1 m-85 -74.29 -19.93 60.31 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 116.096 -0.502 . . . . 72.32 109.848 173.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 59' ' ' ARG . 8.8 p30 -64.69 -24.12 67.47 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.223 0.609 . . . . 54.51 111.014 173.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 150' ' ' ASP . 2.3 mm? -77.98 -24.26 48.09 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.718 0.807 . . . . 72.1 111.738 172.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.96 125.76 3.01 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 125.34 1.456 . . . . 72.24 113.851 -165.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.728 ' HA ' ' HG3' ' A' ' 184' ' ' GLU . 8.4 m-85 -103.47 162.77 12.75 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 114.083 -1.417 . . . . 62.05 111.206 -164.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -100.01 152.14 37.72 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.169 -0.923 . . . . 55.2 110.71 -173.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -81.21 134.54 9.2 Favored 'Trans proline' 0 CA--C 1.552 1.388 0 C-N-CA 122.829 2.352 . . . . 73.04 109.375 156.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -75.79 -5.65 46.86 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.431 0.692 . . . . 65.15 112.024 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 29.4 m -54.52 -36.29 64.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.869 0.868 . . . . 73.15 110.019 165.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.02 -36.01 72.24 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 114.998 -1.001 . . . . 75.23 110.884 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' TYR . . . . . 0.4 ' HE2' HD13 ' A' ' 49' ' ' LEU . 2.8 m-30 -89.65 12.62 16.31 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.286 0.634 . . . . 74.14 111.135 -174.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.24 -33.57 6.22 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-N 116.093 -0.503 . . . . 51.14 113.366 168.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -57.44 124.16 35.06 Favored Glycine 0 C--N 1.348 1.237 0 N-CA-C 111.312 -0.715 . . . . 60.1 111.312 172.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 51.0 m -81.77 78.82 8.45 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.528 0.68 . . . . 71.55 110.84 -170.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -101.18 -175.46 2.87 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 114.898 -1.047 . . . . 73.23 110.43 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 26.9 p -103.94 122.69 45.73 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.83 0.852 . . . . 72.43 109.727 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 36.4 t -109.6 113.78 26.85 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.659 -1.237 . . . . 72.04 107.659 171.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -74.32 118.49 17.33 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.188 0.595 . . . . 63.02 109.529 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 170' ' ' PRO . 4.2 mm? -58.47 118.28 26.88 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 124.528 1.131 . . . . 70.05 110.064 179.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.409 ' HG2' HG23 ' A' ' 118' ' ' THR . 17.5 Cg_exo -67.46 133.47 30.22 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.986 2.457 . . . . 72.35 110.848 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.78 170.59 11.12 Favored 'Trans proline' 0 C--N 1.37 1.676 0 C-N-CA 122.636 2.224 . . . . 70.34 112.467 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -53.04 -28.87 26.55 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 114.101 1.149 . . . . 24.34 114.101 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.61 -21.97 61.04 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 120.831 0.348 . . . . 64.22 111.469 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 102' ' ' LEU . 16.0 m120 -96.67 -0.01 49.06 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.248 0.619 . . . . 74.22 111.855 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -92.91 110.06 21.51 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.3 -0.63 . . . . 52.02 109.3 172.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 30.1 m -95.46 132.09 28.33 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 123.861 0.864 . . . . 71.35 110.007 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -74.79 69.53 5.35 Favored 'Trans proline' 0 C--N 1.369 1.617 0 C-N-CA 122.775 2.317 . . . . 44.44 111.015 165.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -153.04 145.66 24.25 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.252 1.021 . . . . 73.3 108.979 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -95.0 104.71 16.59 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.191 0.597 . . . . 72.24 109.735 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' ILE . . . . . 0.651 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.9 mp -105.79 94.68 3.26 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 N-CA-C 108.301 -1.0 . . . . 71.33 108.301 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 26.9 p -86.33 135.02 33.68 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.17 -1.418 . . . . 71.31 107.17 165.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.453 ' HB3' ' HD3' ' A' ' 185' ' ' ARG . . . -170.14 -160.1 0.22 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 119.413 -0.327 . . . . 54.21 110.433 -161.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -52.78 -157.07 0.01 OUTLIER Glycine 0 CA--C 1.544 1.89 0 N-CA-C 115.37 0.908 . . . . 45.34 115.37 173.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' GLU . . . . . 0.728 ' HG3' ' HA ' ' A' ' 155' ' ' TYR . 4.6 pt-20 -53.05 99.8 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.828 0.851 . . . . 63.31 112.085 -173.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.453 ' HD3' ' HB3' ' A' ' 182' ' ' ALA . 0.0 OUTLIER -169.33 118.67 0.66 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.537 0.735 . . . . 75.35 110.22 171.659 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.668 ' HA ' ' HA ' ' A' ' 127' ' ' THR . 25.0 m -148.91 168.37 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 C-N-CA 124.239 1.016 . . . . 52.13 109.326 158.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.44 -178.57 3.57 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.121 0.969 . . . . 74.11 111.175 177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -144.21 -47.74 0.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.051 -1.463 . . . . 15.41 107.051 -174.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.53 -45.12 55.55 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.736 -1.12 . . . . 64.34 109.639 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.49 -30.27 27.3 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.292 0.637 . . . . 51.53 110.47 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--O 1.254 1.308 0 N-CA-C 109.305 -0.628 . . . . 61.43 109.305 177.952 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptp . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 109.778 -0.452 . . . . 64.51 109.778 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.581 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 35.5 t -159.97 -53.94 0.01 OUTLIER Pre-proline 0 CA--C 1.56 1.338 0 C-N-CA 123.322 0.649 . . . . 52.43 109.702 175.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.581 ' HD3' ' HB3' ' A' ' 2' ' ' SER . 3.0 Cg_exo -78.88 162.13 26.73 Favored 'Trans proline' 0 C--N 1.392 2.827 0 C-N-CA 121.752 1.635 . . . . 72.34 110.541 165.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.16 137.35 95.65 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 109.369 -0.604 . . . . 63.02 109.369 173.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.437 ' HB2' ' O ' ' A' ' 146' ' ' GLU . 16.5 Cg_exo -54.34 126.22 21.5 Favored 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 123.096 2.531 . . . . 64.22 112.189 -175.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 63.9 mt -167.74 -55.93 0.01 OUTLIER Pre-proline 0 CA--C 1.561 1.373 0 C-N-CA 126.189 1.796 . . . . 55.21 108.759 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 40.8 Cg_endo -85.29 30.12 0.52 Allowed 'Trans proline' 0 C--N 1.408 3.659 0 C-N-CA 122.504 2.136 . . . . 53.43 112.539 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.5 m -67.85 -26.24 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 115.625 -0.716 . . . . 53.45 109.548 170.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.5 t -95.23 31.61 1.9 Allowed 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.931 1.292 . . . . 75.31 110.67 169.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 40.16 -150.15 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.846 1.425 . . . . 74.54 114.846 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -111.21 152.38 27.16 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 106.737 -1.579 . . . . 53.14 106.737 165.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -36.26 -50.66 0.75 Allowed 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 115.803 1.779 . . . . 64.51 115.803 -163.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -74.85 -45.41 43.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.799 0.44 . . . . 42.44 110.753 -174.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.74 -33.01 74.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.102 0.561 . . . . 72.44 110.371 178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.527 ' O ' HG13 ' A' ' 19' ' ' ILE . 21.5 t90 -62.98 -58.33 7.71 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.232 1.413 . . . . 71.45 108.793 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -50.74 -46.08 59.06 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 124.711 1.257 . . . . 74.34 111.046 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.36 96.94 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.297 0.639 . . . . 60.13 111.891 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -65.33 -40.29 93.48 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.877 0.471 . . . . 54.14 110.806 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 15' ' ' TRP . 63.3 mt -61.29 -49.32 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 123.893 0.745 . . . . 43.41 109.896 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.99 -34.93 79.22 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 124.165 0.916 . . . . 72.51 111.445 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.07 -35.26 77.91 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.217 0.607 . . . . 30.21 110.514 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -70.98 -37.6 72.75 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.601 0.761 . . . . 73.31 110.285 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.541 ' HD2' ' HB2' ' A' ' 51' ' ' TYR . 18.4 mmt180 -63.58 -45.55 89.88 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 109.512 -0.551 . . . . 72.21 109.512 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.85 -38.8 92.19 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.845 -0.616 . . . . 63.22 110.893 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.56 -50.76 72.05 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 123.913 0.885 . . . . 62.15 112.004 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.1 -50.52 54.39 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.644 -0.502 . . . . 74.22 109.644 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -36.57 37.63 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.367 0.667 . . . . 52.13 112.522 178.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -84.5 -33.81 23.48 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 118.899 -0.572 . . . . 74.22 111.432 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -56.05 -62.07 1.96 Allowed 'General case' 0 N--CA 1.499 1.975 0 C-N-CA 123.782 0.833 . . . . 75.32 111.948 -173.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.53 -13.53 61.05 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.727 0.64 . . . . 71.3 112.727 -176.065 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.28 -39.05 13.75 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.785 0.434 . . . . 64.13 111.137 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.3 p -112.48 -58.51 2.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.785 0.434 . . . . 74.15 111.501 -171.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -63.88 133.65 53.7 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 121.394 0.616 . . . . 75.13 112.6 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.64 -24.86 67.72 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.485 1.514 . . . . 51.33 113.736 -164.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -70.03 -14.39 62.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.536 0.939 . . . . 74.15 113.536 -167.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.1 m -156.56 85.72 3.02 Favored Pre-proline 0 N--CA 1.479 0.997 0 N-CA-C 108.104 -1.073 . . . . 73.23 108.104 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -84.01 125.35 3.59 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 122.353 2.035 . . . . 72.2 112.563 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.454 HG13 ' HB2' ' A' ' 30' ' ' LEU . 52.8 mt -69.17 129.7 91.79 Favored Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 108.697 -0.853 . . . . 61.55 108.697 172.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -47.22 136.36 18.84 Favored 'Trans proline' 0 C--N 1.386 2.514 0 C-N-CA 123.673 2.915 . . . . 63.03 113.225 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -51.14 -32.84 41.5 Favored 'Trans proline' 0 C--N 1.386 2.521 0 C-N-CA 124.123 3.215 . . . . 73.34 114.696 -170.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.84 -51.19 65.8 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.961 0.504 . . . . 55.13 112.022 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -71.46 -36.39 71.2 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.323 0.649 . . . . 62.21 110.377 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' HA ' ' HB2' ' A' ' 46' ' ' PHE . 57.3 ttt-85 -71.99 -22.74 61.38 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.914 -1.039 . . . . 75.53 111.13 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.31 -44.94 72.5 Favored Glycine 0 C--N 1.347 1.183 0 N-CA-C 111.477 -0.649 . . . . 55.44 111.477 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.21 27.98 4.32 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.905 0.882 . . . . 74.52 111.274 174.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.558 ' HB2' ' HA ' ' A' ' 43' ' ' ARG . 86.9 t80 -64.96 104.32 0.85 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.082 0.553 . . . . 75.2 109.563 176.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -93.13 -17.48 23.72 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.015 -0.993 . . . . 71.22 108.761 168.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.55 -147.37 18.8 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 108.352 -1.899 . . . . 61.13 108.352 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -152.7 170.6 19.85 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.003 0.921 . . . . 63.21 108.693 176.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -73.65 113.04 10.33 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.438 -0.949 . . . . 71.04 108.438 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.541 ' HB2' ' HD2' ' A' ' 23' ' ' ARG . 19.7 p90 -119.86 149.88 41.37 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.563 -1.273 . . . . 75.05 107.563 173.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -84.98 147.67 26.59 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.758 0.423 . . . . 53.33 110.369 -171.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' N ' ' HA2' ' A' ' 183' ' ' GLY . 28.7 t70 -97.0 159.37 14.95 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.143 0.577 . . . . 70.22 110.08 -172.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.9 mp -74.36 138.79 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 124.168 0.987 . . . . 72.44 109.903 -172.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -162.59 128.61 3.43 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.559 0.537 . . . . 74.54 110.186 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.64 -23.09 45.98 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.915 0.886 . . . . 71.12 112.791 -174.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -86.91 -25.64 24.31 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.624 0.37 . . . . 70.33 110.677 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -89.9 19.1 5.05 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.385 0.674 . . . . 70.33 111.375 174.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 38.0 ptt180 -113.5 110.95 21.11 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 107.559 -1.274 . . . . 62.35 107.559 159.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.0 m -103.13 158.6 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 N-CA-C 109.546 -0.539 . . . . 74.43 109.546 177.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.02 119.79 35.13 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 107.982 -1.118 . . . . 55.35 107.982 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -115.52 142.31 46.89 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.261 1.024 . . . . 55.34 110.158 -172.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -74.99 114.47 13.51 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.496 -0.557 . . . . 75.12 109.496 177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -78.56 119.15 21.43 Favored 'General case' 0 C--O 1.251 1.143 0 N-CA-C 108.56 -0.904 . . . . 71.54 108.56 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -116.48 106.58 48.37 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 106.969 -1.493 . . . . 64.41 106.969 168.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.35 148.68 92.64 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 121.862 1.708 . . . . 72.25 110.324 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.36 101.13 0.54 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.893 -0.78 . . . . 71.33 108.893 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -57.75 -31.15 66.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.914 1.286 . . . . 71.31 111.035 -177.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -139.29 95.71 9.14 Favored Pre-proline 0 CA--C 1.556 1.191 0 CA-C-N 115.121 -0.945 . . . . 73.43 108.487 167.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.18 128.92 17.27 Favored 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 122.974 2.449 . . . . 61.4 112.477 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -124.29 144.9 49.72 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.753 0.821 . . . . 73.41 110.123 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.91 114.09 21.43 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.04 -0.726 . . . . 73.05 109.04 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 20.4 m -105.19 157.66 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.052 0.941 . . . . 70.53 109.188 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 31.9 mt-10 -112.23 106.27 14.8 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.595 0.758 . . . . 63.21 109.274 -174.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.07 122.66 39.14 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.022 -1.473 . . . . 75.11 107.022 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -61.39 146.92 46.64 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.191 -0.67 . . . . 50.22 109.191 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 167' ' ' CYS . 63.8 p -114.35 158.61 21.25 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.266 0.484 . . . . 65.21 110.527 -174.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.0 p -73.64 -20.54 60.55 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 115.274 -0.876 . . . . 72.0 110.152 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 165' ' ' PHE . 75.8 ttt180 -76.84 -26.74 54.65 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.706 1.202 . . . . 70.33 111.423 175.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.01 -122.24 2.06 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 118.292 -1.282 . . . . 75.32 111.902 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -43.9 140.79 4.72 Favored 'Trans proline' 0 C--N 1.39 2.741 0 C-N-CA 124.536 3.49 . . . . 62.41 114.908 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.424 ' HB2' ' HB3' ' A' ' 74' ' ' GLU . 36.4 Cg_endo -61.52 146.82 96.66 Favored 'Trans proline' 0 C--N 1.381 2.267 0 C-N-CA 122.947 2.431 . . . . 73.23 114.114 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.78 132.36 47.57 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.763 1.225 . . . . 74.31 108.357 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 37.9 mt-10 -89.64 128.73 36.1 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.891 0.476 . . . . 74.03 110.564 -177.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.413 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 64.0 m-85 -131.42 136.18 47.79 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.463 -0.94 . . . . 72.21 108.463 176.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.9 m -82.53 142.08 32.11 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 108.881 -0.785 . . . . 64.22 108.881 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -78.99 113.5 17.16 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.567 -0.531 . . . . 71.14 109.567 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.76 -42.84 17.46 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.504 0.722 . . . . 73.25 110.701 176.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -163.6 176.03 10.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.439 -0.801 . . . . 74.23 111.898 -175.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.6 126.63 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 125.207 1.403 . . . . 73.13 107.608 167.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.46 118.4 33.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.814 0.846 . . . . 62.54 109.672 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.37 113.75 4.69 Favored Glycine 0 C--N 1.34 0.778 0 N-CA-C 110.286 -1.125 . . . . 71.04 110.286 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -135.26 -174.98 3.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.617 0.767 . . . . 73.25 109.384 -172.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -138.39 159.25 42.55 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.207 -1.035 . . . . 44.23 108.207 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.5 tp -171.48 135.16 0.9 Allowed 'General case' 0 C--O 1.247 0.93 0 N-CA-C 108.316 -0.994 . . . . 64.22 108.316 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.16 -103.28 0.83 Allowed Glycine 0 C--N 1.346 1.116 0 O-C-N 123.237 0.336 . . . . 74.34 112.689 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -121.86 3.7 10.0 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.382 1.073 . . . . 54.43 110.875 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.0 m -128.49 135.73 49.84 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.73 0.641 . . . . 61.53 112.73 -167.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -93.33 110.39 21.93 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 108.111 -1.07 . . . . 74.34 108.111 168.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -130.52 159.45 37.07 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.647 0.379 . . . . 70.11 110.38 -166.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 p -113.83 156.62 23.56 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.297 0.639 . . . . 71.21 111.067 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.4 tp -140.49 117.75 11.33 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.873 -1.158 . . . . 62.44 107.873 -175.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.8 m -87.12 125.94 34.46 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 118.326 0.512 . . . . 41.53 110.196 -173.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.437 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -99.23 127.3 45.2 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.52 1.128 . . . . 65.41 109.958 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.413 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 57.3 m-85 -107.58 145.23 33.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.565 0.746 . . . . 70.33 111.572 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.534 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 46.2 ttt85 -94.88 122.0 37.06 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.772 1.629 . . . . 74.31 108.719 175.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.612 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 48.5 t -107.74 139.94 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.869 1.268 . . . . 73.4 109.746 -176.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -55.47 102.94 0.08 Allowed 'General case' 0 CA--C 1.561 1.388 0 CA-C-O 121.791 0.805 . . . . 73.11 111.482 173.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.69 27.58 29.07 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.016 -0.993 . . . . 45.24 114.099 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.612 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.3 OUTLIER -80.08 166.81 21.14 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 109.606 -0.516 . . . . 72.32 109.606 176.072 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.2 t -95.52 -42.74 8.29 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 121.572 -0.705 . . . . 74.33 109.356 169.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.4 m -135.09 167.67 20.54 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.61 1.164 . . . . 64.32 109.519 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.0 mt -75.97 147.72 38.64 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.335 0.654 . . . . 73.12 110.425 -165.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.76 105.13 16.43 Favored 'General case' 0 C--O 1.233 0.203 0 O-C-N 124.887 1.367 . . . . 74.22 107.648 -176.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 104' ' ' ALA . 35.2 t -106.92 94.51 10.75 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 108.691 -0.855 . . . . 73.12 108.691 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.95 114.51 4.04 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 121.906 1.737 . . . . 71.52 108.488 169.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -133.75 172.35 12.89 Favored 'General case' 0 C--O 1.245 0.84 0 C-N-CA 123.583 0.753 . . . . 74.12 109.272 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.45 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.3 p -138.22 172.5 12.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.464 -1.244 . . . . 74.34 108.596 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 3.8 p30 -143.63 -163.72 1.72 Allowed 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 124.053 0.941 . . . . 62.33 108.883 177.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 179' ' ' ALA . 51.1 mt-10 -76.12 -32.97 59.43 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 122.161 -0.337 . . . . 63.53 111.507 175.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.536 HG23 ' HB1' ' A' ' 179' ' ' ALA . 0.2 OUTLIER -70.61 -25.48 63.06 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.264 0.626 . . . . 62.1 111.975 -175.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.9 p -68.1 -50.84 52.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.373 0.669 . . . . 72.22 109.882 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.78 -28.38 68.97 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.354 -0.839 . . . . 64.45 110.197 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 121' ' ' THR . 25.5 t70 -79.25 -9.27 59.53 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 125.092 1.357 . . . . 73.42 111.369 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 85.6 -7.6 75.88 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 115.039 0.776 . . . . 71.34 115.039 173.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -79.9 -15.34 57.52 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.983 0.513 . . . . 73.52 111.502 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.2 p -131.17 173.8 10.67 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.075 0.95 . . . . 72.11 108.49 164.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -68.84 108.58 3.51 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.257 0.623 . . . . 75.11 112.209 -169.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.7 -40.23 83.05 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.252 1.421 . . . . 64.2 113.553 -171.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -78.81 -1.86 36.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.166 0.586 . . . . 72.45 111.79 -176.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 138.87 157.65 7.42 Favored Glycine 0 C--N 1.349 1.281 0 N-CA-C 112.752 -0.139 . . . . 61.11 112.752 169.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.662 HH21 ' HB3' ' A' ' 154' ' ' ALA . 11.2 ptm180 -135.68 141.8 45.02 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.124 -1.065 . . . . 75.15 108.124 169.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -94.67 160.27 14.7 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.802 0.441 . . . . 74.31 110.389 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.434 HD22 HG22 ' A' ' 136' ' ' VAL . 1.0 OUTLIER -132.2 129.52 39.84 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.731 -1.211 . . . . 73.13 107.731 173.121 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.53 104.05 16.0 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 107.776 -1.194 . . . . 75.23 107.776 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.434 HG22 HD22 ' A' ' 134' ' ' LEU . 62.1 t -115.75 124.68 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 122.93 0.492 . . . . 64.01 110.89 -170.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.5 117.82 69.64 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 108.804 -0.813 . . . . 63.54 108.804 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.11 -30.47 16.17 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.49 2.127 . . . . 74.42 113.321 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 59.38 26.12 14.96 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.252 1.021 . . . . 54.3 112.303 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.73 40.58 49.01 Favored Glycine 0 C--N 1.35 1.312 0 CA-C-N 116.045 -0.525 . . . . 75.45 113.578 -168.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.03 148.42 51.03 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.06 0.544 . . . . 71.22 111.334 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.02 170.05 8.54 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 108.838 -0.801 . . . . 75.2 108.838 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -59.73 104.2 0.54 Allowed Glycine 0 C--N 1.348 1.207 0 O-C-N 123.405 0.441 . . . . 63.24 112.809 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.89 2.63 32.05 Favored Glycine 0 N--CA 1.467 0.737 0 CA-C-O 119.432 -0.649 . . . . 74.12 114.535 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.87 175.74 10.16 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 108.412 -0.958 . . . . 73.42 108.412 165.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 5' ' ' PRO . 12.7 pt-20 -128.45 145.63 51.04 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.168 0.509 . . . . 73.31 111.124 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.06 150.42 32.74 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 C-N-CA 124.934 1.294 . . . . 72.4 107.573 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.34 117.02 19.94 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.894 0.477 . . . . 63.13 110.755 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.0 mt -92.29 86.54 5.75 Favored 'General case' 0 C--O 1.248 1.024 0 N-CA-C 107.85 -1.167 . . . . 75.52 107.85 170.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 1.4 m-20 -81.22 95.76 7.04 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 113.94 -1.482 . . . . 74.45 110.166 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -66.76 -22.39 66.04 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.386 -0.598 . . . . 71.13 109.386 172.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -71.57 -25.42 62.19 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.416 -0.811 . . . . 74.13 110.838 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.494 ' HA ' HH22 ' A' ' 23' ' ' ARG . 1.6 mm? -81.26 -25.52 36.53 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.441 0.697 . . . . 62.34 112.14 176.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.662 ' HB3' HH21 ' A' ' 132' ' ' ARG . . . -47.7 150.46 1.03 Allowed 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.824 1.327 . . . . 62.31 113.624 -170.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -119.05 169.03 10.26 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.108 0.963 . . . . 73.32 110.91 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -102.46 151.03 38.14 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.076 0.951 . . . . 72.23 110.371 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -64.18 157.05 55.79 Favored 'Trans proline' 0 C--N 1.373 1.852 0 C-N-CA 122.838 2.359 . . . . 73.33 113.059 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -65.97 -28.67 69.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.806 0.842 . . . . 63.52 112.704 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 167' ' ' CYS . 11.9 m -62.33 -24.95 67.62 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.496 0.718 . . . . 75.53 112.47 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -74.58 -1.79 23.06 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.147 0.979 . . . . 73.31 112.938 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -91.24 0.35 57.54 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.737 0.815 . . . . 75.05 110.632 -175.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 93.01 32.64 7.78 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 116.218 -0.446 . . . . 44.24 112.599 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.16 166.93 25.61 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 112.422 -0.271 . . . . 43.13 112.422 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 67.2 m -91.92 70.59 5.55 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.968 0.907 . . . . 52.44 109.949 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 76.6 m-85 -95.65 179.29 5.18 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 114.969 -1.014 . . . . 73.52 108.667 173.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.408 ' OG ' ' HD3' ' A' ' 79' ' ' ARG . 11.1 m -102.38 114.8 29.29 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.269 0.628 . . . . 73.41 109.643 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 77' ' ' THR . 34.6 t -104.23 113.97 27.88 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.337 -0.986 . . . . 73.2 108.337 171.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -70.92 104.51 2.97 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.415 -0.957 . . . . 70.43 108.415 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.13 134.15 84.24 Favored Pre-proline 0 CA--C 1.548 0.904 0 O-C-N 124.352 1.033 . . . . 72.4 110.385 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.45 ' HG3' HG23 ' A' ' 118' ' ' THR . 93.0 Cg_endo -75.99 133.14 14.82 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.343 2.028 . . . . 64.5 111.715 -175.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' PRO . . . . . 0.438 ' HD2' HD22 ' A' ' 174' ' ' ASN . 44.9 Cg_exo -56.3 152.91 36.36 Favored 'Trans proline' 0 C--N 1.374 1.881 0 C-N-CA 122.391 2.06 . . . . 43.5 112.547 173.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -58.99 -26.76 64.78 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.799 0.84 . . . . 44.21 112.144 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.31 -25.06 66.87 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.484 1.114 . . . . 73.33 112.579 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.438 HD22 ' HD2' ' A' ' 171' ' ' PRO . 1.9 p30 -118.72 29.26 7.83 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.697 0.76 . . . . 73.15 110.83 -177.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -92.2 102.3 14.81 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 107.325 -1.361 . . . . 73.3 107.325 165.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.55 126.66 92.94 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.637 0.775 . . . . 53.44 109.367 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -81.48 43.61 1.56 Allowed 'Trans proline' 0 C--N 1.371 1.728 0 C-N-CA 122.756 2.304 . . . . 51.31 112.483 174.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -143.21 148.7 36.89 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.498 1.519 . . . . 62.14 107.053 176.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.536 ' HB1' HG23 ' A' ' 121' ' ' THR . . . -94.75 122.59 37.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.145 0.578 . . . . 64.04 109.985 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.73 104.76 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 108.182 -1.044 . . . . 75.21 108.182 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' THR . . . . . 0.518 ' HB ' HG21 ' A' ' 121' ' ' THR . 10.1 t -117.67 113.03 21.3 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 108.835 -0.802 . . . . 75.42 108.835 171.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -155.29 112.7 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 105.84 -1.911 . . . . 71.11 105.84 166.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.493 ' HA2' ' N ' ' A' ' 53' ' ' ASP . . . 170.38 -171.82 43.76 Favored Glycine 0 C--N 1.34 0.762 0 O-C-N 123.512 0.508 . . . . 74.11 113.424 -176.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -76.38 122.86 25.08 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 106.637 -1.616 . . . . 64.42 106.637 155.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 152.94 27.67 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.868 0.867 . . . . 70.44 111.926 -173.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 84.9 t -113.33 147.7 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 107.302 -1.37 . . . . 65.32 107.302 -170.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 191' ' ' GLU . 14.4 m-20 -108.33 121.5 45.04 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.402 0.681 . . . . 74.04 110.786 -173.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -79.46 40.13 0.42 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.122 0.969 . . . . 53.14 111.532 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -145.26 -53.78 0.29 Allowed 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.02 0.928 . . . . 72.21 109.266 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.29 -44.55 52.28 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.685 -0.689 . . . . 72.13 111.836 -175.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 191' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 187' ' ' ASP . 5.6 mm-40 . . . . . 0 N--CA 1.484 1.273 0 O-C-N 123.618 0.574 . . . . 74.53 111.76 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 110.232 -0.284 . . . . 72.23 110.232 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.452 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 42.4 t -175.92 -46.14 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 124.55 1.14 . . . . 62.42 110.012 -176.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 2' ' ' SER . 39.0 Cg_exo -65.24 176.74 3.0 Favored 'Trans proline' 0 C--N 1.393 2.912 0 C-N-CA 122.241 1.961 . . . . 75.21 112.521 168.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.9 tt -62.6 136.12 95.94 Favored Pre-proline 0 CA--C 1.568 1.648 0 CA-C-N 115.801 -0.636 . . . . 74.23 109.29 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -66.56 127.16 16.7 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 121.868 1.712 . . . . 73.31 110.776 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mt 179.52 -47.43 0.0 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.814 1.246 . . . . 71.33 108.359 -166.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -79.79 27.1 0.55 Allowed 'Trans proline' 0 C--N 1.402 3.346 0 C-N-CA 122.215 1.943 . . . . 75.21 112.384 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -66.4 -17.15 22.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 C-N-CA 123.844 0.857 . . . . 72.15 110.346 171.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.45 ' HB ' ' HB3' ' A' ' 148' ' ' ALA . 12.4 t -85.6 30.26 0.65 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.723 1.209 . . . . 70.12 110.662 168.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 44.48 -150.34 0.05 Allowed 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 114.073 1.138 . . . . 71.13 114.073 -173.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -120.87 150.27 41.31 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 106.072 -1.825 . . . . 71.01 106.072 172.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -38.47 -44.71 0.96 Allowed 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 115.981 1.845 . . . . 63.44 115.981 -163.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -67.66 -53.29 29.01 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.492 0.317 . . . . 73.23 110.702 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -62.56 -33.98 76.03 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.863 0.865 . . . . 74.01 111.461 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.457 ' O ' HG13 ' A' ' 19' ' ' ILE . 31.5 t90 -69.0 -52.74 25.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.835 1.254 . . . . 75.31 109.816 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.6 ttp-105 -58.14 -37.09 73.97 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.208 0.942 . . . . 74.41 110.325 175.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.31 90.63 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.692 0.62 . . . . 51.24 112.281 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 18.4 mmt180 -63.55 -48.25 78.26 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 118.389 0.541 . . . . 74.02 110.252 176.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.604 HG21 HG13 ' A' ' 54' ' ' ILE . 33.2 mt -60.69 -48.14 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 123.597 0.56 . . . . 62.1 110.841 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.79 -43.95 73.32 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.652 1.22 . . . . 72.52 111.645 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.73 97.18 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.515 0.726 . . . . 75.12 111.667 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -76.78 -26.83 54.92 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.553 0.741 . . . . 74.45 110.992 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -71.57 -53.47 13.67 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.136 -1.061 . . . . 65.23 108.136 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.98 98.02 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 124.857 1.348 . . . . 72.24 111.032 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.47 -58.3 8.7 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 123.959 0.787 . . . . 74.15 110.655 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -30.25 70.56 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.598 0.562 . . . . 75.13 111.242 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.571 ' HA ' HD21 ' A' ' 49' ' ' LEU . 11.6 t70 -66.66 -55.61 14.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.149 0.579 . . . . 75.23 109.973 177.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HA ' ' HZ ' ' A' ' 46' ' ' PHE . 11.4 pt-20 -79.81 -13.94 59.05 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 118.96 -0.543 . . . . 75.12 111.693 -176.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 35.3 t80 -49.47 -55.43 13.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.847 1.259 . . . . 71.42 111.795 -170.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.768 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.96 -11.56 60.83 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 114.362 -1.29 . . . . 53.24 111.37 -172.13 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.57 -56.33 3.06 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.67 0.788 . . . . 43.34 110.934 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.5 p -105.31 9.16 33.97 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.323 1.049 . . . . 61.34 112.95 -166.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 2.6 m80 -126.64 119.41 26.97 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.16 -0.681 . . . . 70.0 109.16 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.26 -14.21 60.17 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.116 1.366 . . . . 54.23 112.81 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -61.07 -33.23 73.01 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.697 0.799 . . . . 71.15 112.408 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 69.4 m -159.26 92.62 1.85 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 107.904 -1.147 . . . . 74.53 107.904 -173.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.69 149.17 60.52 Favored 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 122.384 2.056 . . . . 75.21 112.369 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.768 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 16.0 tt -87.91 139.82 31.02 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 107.985 -1.117 . . . . 61.4 107.985 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.64 141.72 91.16 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.107 1.871 . . . . 62.15 111.672 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -59.48 -27.42 84.93 Favored 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 123.421 2.747 . . . . 54.32 114.524 -166.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.36 83.0 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.267 0.227 . . . . 72.22 110.452 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.506 ' HB2' HG12 ' A' ' 38' ' ' ILE . 31.6 m-20 -73.46 -37.6 65.74 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 122.863 0.465 . . . . 74.04 110.05 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -57.51 -32.43 67.03 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.31 1.044 . . . . 74.1 111.664 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.67 -44.52 96.27 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 123.541 0.526 . . . . 74.45 112.086 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.58 15.88 15.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.478 0.711 . . . . 72.02 112.198 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.431 ' HZ ' ' HA ' ' A' ' 28' ' ' GLU . 82.9 t80 -74.14 103.23 4.51 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.138 0.494 . . . . 70.44 110.106 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -139.82 11.34 2.45 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.607 1.163 . . . . 75.23 109.083 173.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 130.65 145.92 5.8 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 110.586 -1.005 . . . . 61.5 110.586 -169.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -131.96 -169.21 2.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.749 0.819 . . . . 75.4 110.576 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -73.31 119.68 17.88 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.66 0.743 . . . . 55.3 112.9 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -147.95 142.98 27.0 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 106.912 -1.514 . . . . 71.33 106.912 161.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.631 ' HB2' ' HA2' ' A' ' 183' ' ' GLY . 14.6 m-85 -97.28 172.01 8.06 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.725 0.41 . . . . 64.12 110.347 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.33 171.33 10.11 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.946 0.779 . . . . 74.41 111.692 -171.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.604 HG13 HG21 ' A' ' 19' ' ' ILE . 3.6 mp -81.61 131.78 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 114.852 -1.067 . . . . 72.43 109.378 175.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -124.01 110.47 14.82 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.821 -0.807 . . . . 72.42 108.821 171.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.15 -21.47 56.53 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.112 0.965 . . . . 24.21 112.342 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.5 t -80.85 -19.33 44.78 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.875 0.47 . . . . 52.44 111.012 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.576 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 22.8 m-85 -85.79 16.81 3.75 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.456 0.702 . . . . 75.24 111.405 170.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -85.89 97.79 10.42 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 107.765 -1.198 . . . . 60.31 107.765 167.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.422 HG11 HD13 ' A' ' 95' ' ' LEU . 29.2 m -101.26 142.97 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 109.06 -0.719 . . . . 72.04 109.06 174.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.75 124.82 29.95 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.41 -0.959 . . . . 72.04 108.41 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.66 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -110.81 118.86 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.511 -0.551 . . . . 74.24 109.511 -175.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -74.25 111.94 9.92 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.535 -0.913 . . . . 72.21 108.535 -172.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -78.18 117.39 19.42 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-N 114.875 -1.057 . . . . 75.32 110.029 -172.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -118.92 114.47 35.37 Favored Pre-proline 0 C--O 1.217 -0.627 0 N-CA-C 107.324 -1.361 . . . . 45.22 107.324 168.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.23 152.87 80.08 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 121.853 1.702 . . . . 41.54 110.985 175.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.52 117.22 7.69 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.051 -0.722 . . . . 53.24 109.051 174.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -54.49 -35.91 63.61 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.306 1.004 . . . . 73.12 110.926 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -135.88 101.71 10.46 Favored Pre-proline 0 C--O 1.245 0.832 0 CA-C-N 115.133 -0.939 . . . . 75.42 108.937 168.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.75 124.09 11.12 Favored 'Trans proline' 0 C--N 1.372 1.787 0 C-N-CA 122.384 2.056 . . . . 71.04 111.862 173.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -132.85 156.55 46.98 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.706 0.802 . . . . 71.02 109.897 -174.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.13 108.98 13.03 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 123.216 0.606 . . . . 75.03 109.573 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.3 m -105.89 151.88 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 108.102 -1.073 . . . . 34.3 108.102 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 119.98 41.11 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.922 -0.77 . . . . 73.23 108.922 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.429 HD23 ' HD1' ' A' ' 85' ' ' TYR . 1.9 mm? -103.08 128.29 50.02 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.034 -1.469 . . . . 74.15 107.034 174.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.73 150.28 48.76 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.187 -0.671 . . . . 74.23 109.187 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.1 p -117.11 172.53 7.22 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 121.086 0.469 . . . . 71.51 110.761 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.5 p -89.79 -31.56 17.34 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.959 -1.018 . . . . 70.45 110.267 176.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' ' 165' ' ' PHE . 37.5 ttt180 -73.77 -30.73 62.94 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.885 0.874 . . . . 74.51 112.499 -177.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.09 -122.74 1.09 Allowed Glycine 0 C--N 1.345 1.069 0 CA-C-O 118.701 -1.055 . . . . 71.12 113.04 -174.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -62.92 155.13 62.18 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 123.617 2.878 . . . . 74.51 113.204 -173.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.59 132.74 36.64 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.543 2.162 . . . . 73.0 112.472 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.49 117.23 27.29 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.174 -0.921 . . . . 51.42 108.879 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -89.9 130.23 36.15 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.571 0.348 . . . . 62.54 110.536 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.461 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 81.6 m-85 -131.53 153.37 49.9 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.093 0.957 . . . . 64.24 109.09 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.3 m -91.39 119.41 31.37 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 109.166 -0.679 . . . . 74.41 109.166 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -68.13 111.92 4.77 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.86 0.754 . . . . 74.11 109.3 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -94.71 -39.64 10.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.0 0.52 . . . . 74.2 111.634 -171.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . . . -151.47 170.02 20.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.487 0.66 . . . . 43.22 110.612 -172.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.27 115.09 13.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 C-N-CA 125.866 1.666 . . . . 65.24 106.817 172.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.66 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 2.6 mm? -90.16 128.65 36.4 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.427 0.691 . . . . 75.14 109.536 177.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.23 121.52 4.46 Favored Glycine 0 C--O 1.218 -0.848 0 N-CA-C 111.042 -0.823 . . . . 61.04 111.042 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.592 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 54.3 p90 -144.49 -173.74 4.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.24 0.616 . . . . 74.03 109.459 -172.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -133.15 146.73 51.84 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.076 0.465 . . . . 71.44 110.17 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.422 HD13 HG11 ' A' ' 60' ' ' VAL . 38.7 tp -142.83 135.22 27.54 Favored 'General case' 0 C--O 1.256 1.434 0 N-CA-C 107.066 -1.457 . . . . 74.32 107.066 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.48 -97.57 0.62 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 112.283 -0.327 . . . . 54.11 112.283 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -134.72 5.02 3.37 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.481 1.112 . . . . 52.34 110.303 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.8 m -128.7 149.98 50.45 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 112.146 0.425 . . . . 63.24 112.146 -168.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -87.97 124.53 33.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.517 -0.765 . . . . 74.22 109.443 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -121.53 136.48 54.95 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.963 0.905 . . . . 70.33 109.017 -177.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 m -127.95 119.49 25.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.295 0.638 . . . . 74.44 109.33 -175.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -114.22 139.07 49.68 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.813 1.245 . . . . 64.52 108.595 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.3 m -90.74 130.48 36.72 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.386 -0.598 . . . . 62.53 109.386 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . . . -98.01 121.9 40.48 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.728 0.811 . . . . 62.35 108.92 175.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.461 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 65.6 m-85 -97.62 168.77 10.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.261 -0.644 . . . . 63.4 109.261 175.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.58 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 22.0 ttt180 -115.67 133.3 56.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.691 1.196 . . . . 75.4 108.066 -175.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.742 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 28.6 t -97.56 113.7 32.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 N-CA-C 107.054 -1.462 . . . . 64.41 107.054 166.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -55.58 125.98 23.39 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 122.932 0.493 . . . . 73.23 110.797 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 94.79 -34.01 5.02 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.627 -0.715 . . . . 55.13 112.327 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.742 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 11.1 tp10 -83.89 129.37 34.93 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.453 0.701 . . . . 65.31 110.055 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -75.56 -22.79 56.72 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.546 0.739 . . . . 74.45 111.831 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.2 m -85.91 140.72 30.12 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.848 0.459 . . . . 63.25 110.017 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.3 mt -82.14 141.51 33.02 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.282 0.633 . . . . 62.21 109.303 174.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -100.42 110.63 22.84 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.222 -1.029 . . . . 74.41 108.222 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.1 t -107.85 93.18 10.11 Favored Pre-proline 0 N--CA 1.47 0.536 0 N-CA-C 108.655 -0.868 . . . . 71.21 108.655 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.97 120.36 5.01 Favored 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.202 1.935 . . . . 52.32 109.749 171.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -138.0 171.89 13.75 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.966 0.906 . . . . 74.14 110.212 -176.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -138.61 169.01 18.55 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.67 1.188 . . . . 64.3 108.083 172.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.436 ' HA ' ' O ' ' A' ' 176' ' ' VAL . 3.8 p-10 -156.04 -163.29 1.45 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 123.693 0.62 . . . . 63.41 109.731 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -78.56 -35.15 46.41 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.727 0.694 . . . . 73.32 111.408 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.5 m -59.61 -38.41 81.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.641 0.777 . . . . 73.34 111.333 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.554 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 57.4 p -66.02 -42.17 90.02 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 116.026 -0.533 . . . . 74.53 111.168 174.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.54 -15.2 62.75 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.685 0.794 . . . . 73.02 112.852 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -72.38 -22.42 61.14 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.849 0.314 . . . . 74.32 111.849 172.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.08 9.12 87.38 Favored Glycine 0 C--N 1.348 1.209 0 N-CA-C 111.177 -0.769 . . . . 64.44 111.177 -163.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -78.84 -28.59 44.34 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.316 1.446 . . . . 75.13 109.581 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.493 HG21 ' HB3' ' A' ' 184' ' ' GLU . 27.2 p -137.11 -178.13 5.07 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.449 1.5 . . . . 74.33 107.59 164.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.478 ' HB2' ' HD2' ' A' ' 132' ' ' ARG . 15.1 m-85 -80.06 110.38 15.4 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 112.91 0.708 . . . . 75.43 112.91 -169.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.554 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 13.6 pt-20 -66.37 -17.95 65.07 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.374 1.07 . . . . 72.01 112.986 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.412 ' O ' HD13 ' A' ' 169' ' ' LEU . 72.3 m80 -73.38 -2.26 21.54 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.602 0.361 . . . . 75.1 111.866 177.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.471 ' O ' ' SG ' ' A' ' 167' ' ' CYS . . . 97.95 144.01 16.08 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 111.601 -0.6 . . . . 60.35 111.601 166.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.478 ' HD2' ' HB2' ' A' ' 128' ' ' TYR . 2.6 mmp_? -131.72 159.23 39.0 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.602 1.161 . . . . 74.44 108.572 -166.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.3 166.47 12.29 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.543 0.687 . . . . 74.45 110.796 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.4 tt -140.63 122.36 15.33 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 106.288 -1.745 . . . . 71.11 106.288 164.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -92.04 108.11 19.7 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.394 -0.965 . . . . 74.43 108.394 -176.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 51.9 t -113.17 127.16 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 115.675 -0.693 . . . . 74.52 109.831 -169.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.08 107.44 57.13 Favored Pre-proline 0 C--O 1.24 0.585 0 N-CA-C 107.947 -1.131 . . . . 73.33 107.947 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.49 ' HA ' HG11 ' A' ' 147' ' ' VAL . 88.6 Cg_endo -77.97 -8.25 16.59 Favored 'Trans proline' 0 C--N 1.364 1.374 0 C-N-CA 122.508 2.139 . . . . 64.21 113.636 -177.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.74 -90.76 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.172 1.389 . . . . 73.4 111.032 -174.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -141.74 53.32 0.64 Allowed Glycine 0 C--N 1.341 0.851 0 N-CA-C 111.856 -0.498 . . . . 74.1 111.856 173.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -80.14 139.01 37.0 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.275 0.63 . . . . 62.24 110.879 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -114.89 174.09 6.15 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 108.461 -0.94 . . . . 73.53 108.461 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.68 114.88 7.3 Favored Glycine 0 C--N 1.349 1.278 0 N-CA-C 111.905 -0.478 . . . . 40.21 111.905 176.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 112.66 -16.47 23.75 Favored Glycine 0 N--CA 1.468 0.789 0 O-C-N 123.729 0.311 . . . . 74.32 112.624 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -80.25 -170.5 2.55 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.817 -0.438 . . . . 54.23 109.817 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -147.39 160.99 41.92 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.432 0.634 . . . . 70.5 110.632 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.49 HG11 ' HA ' ' A' ' 138' ' ' PRO . 15.9 m -139.91 143.81 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.884 1.274 . . . . 72.24 108.109 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.45 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -77.8 115.98 17.97 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.905 0.383 . . . . 45.45 110.792 -173.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 14.8 mt -95.05 85.71 4.41 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 108.25 -1.019 . . . . 74.53 108.25 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.43 ' HB2' HD23 ' A' ' 153' ' ' LEU . 2.5 m-20 -75.31 102.82 5.21 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 107.6 -1.259 . . . . 65.21 107.6 167.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.576 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 26.6 m-85 -65.61 -16.37 63.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.28 0.632 . . . . 71.32 111.995 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -71.53 -17.85 62.3 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 122.14 0.176 . . . . 45.42 111.334 175.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.468 HD11 HG12 ' A' ' 19' ' ' ILE . 2.9 mm? -93.05 13.46 20.73 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.273 0.629 . . . . 64.1 111.683 172.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.83 120.46 6.86 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.826 -0.435 . . . . 30.32 109.826 172.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -97.54 135.82 38.83 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.807 0.843 . . . . 55.34 110.028 -171.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -117.08 127.53 26.64 Favored Pre-proline 0 C--O 1.24 0.587 0 CA-C-N 114.976 -1.011 . . . . 72.43 108.976 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -48.47 164.03 0.23 Allowed 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 123.284 2.656 . . . . 73.44 113.892 166.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -75.08 0.68 15.29 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.786 -1.097 . . . . 70.41 113.037 -171.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 29.8 p -65.06 -22.67 67.0 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.444 0.698 . . . . 74.43 111.172 172.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.456 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . . . -82.21 -17.06 47.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.036 0.535 . . . . 53.43 110.676 174.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' TYR . . . . . 0.451 ' CD2' HD11 ' A' ' 30' ' ' LEU . 8.0 m-85 -101.44 -13.35 17.99 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.557 1.143 . . . . 63.11 110.375 -173.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 125.11 -26.98 5.46 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 119.799 -0.445 . . . . 52.35 113.481 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -90.47 142.14 16.19 Favored Glycine 0 N--CA 1.479 1.548 0 CA-C-N 117.607 0.703 . . . . 75.25 112.928 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 23.8 p -91.49 86.22 5.98 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.02 0.91 . . . . 73.53 109.999 -176.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 79' ' ' ARG . 96.7 m-85 -113.64 160.43 18.59 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.57 0.748 . . . . 75.42 110.825 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 20.5 p -71.6 140.72 49.9 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.926 0.89 . . . . 53.42 112.37 -171.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 131' ' ' GLY . 47.3 t -133.59 129.06 36.45 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.973 -0.751 . . . . 61.03 108.973 173.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.81 113.4 10.91 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 124.27 0.981 . . . . 65.0 109.433 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 130' ' ' HIS . 4.2 mm? -58.87 120.71 48.75 Favored Pre-proline 0 CA--C 1.545 0.782 0 O-C-N 124.125 0.891 . . . . 74.14 109.018 171.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.74 153.13 73.69 Favored 'Trans proline' 0 C--N 1.365 1.445 0 C-N-CA 122.463 2.108 . . . . 75.1 112.504 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.61 149.63 90.47 Favored 'Trans proline' 0 C--N 1.372 1.768 0 C-N-CA 121.93 1.754 . . . . 72.3 110.433 164.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -53.73 -27.25 27.27 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.9 1.074 . . . . 64.1 113.9 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -79.26 -17.65 54.31 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 122.92 0.488 . . . . 74.12 111.159 -178.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.59 4.73 30.87 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.111 0.565 . . . . 52.42 110.899 173.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -88.81 116.55 27.17 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 108.156 -1.053 . . . . 55.35 108.156 171.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 119' ' ' ASP . 58.7 t -92.34 114.0 60.98 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.39 1.076 . . . . 63.13 109.05 177.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -67.23 58.42 0.64 Allowed 'Trans proline' 0 CA--C 1.563 1.926 0 C-N-CA 122.826 2.35 . . . . 62.24 113.422 167.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -148.83 146.16 27.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.679 1.191 . . . . 64.41 107.881 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -90.58 108.28 19.7 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.04 0.536 . . . . 52.21 109.939 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.3 mp -96.8 97.05 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.16 -1.052 . . . . 73.14 108.16 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 18.4 p -95.38 65.6 2.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.149 0.976 . . . . 42.34 109.728 174.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -112.42 -163.98 0.89 Allowed 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 114.401 -1.272 . . . . 73.02 108.334 177.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.631 ' HA2' ' HB2' ' A' ' 52' ' ' PHE . . . -72.58 98.65 0.86 Allowed Glycine 0 C--N 1.354 1.575 0 C-N-CA 119.626 -1.274 . . . . 52.32 110.9 174.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 184' ' ' GLU . . . . . 0.493 ' HB3' HG21 ' A' ' 127' ' ' THR . 0.1 OUTLIER -133.83 139.04 46.0 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 106.087 -1.82 . . . . 64.34 106.087 168.568 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -77.31 175.74 9.45 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.972 0.891 . . . . 65.42 112.058 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.45 ' HA ' ' HE1' ' A' ' 128' ' ' TYR . 10.9 p -170.2 165.87 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 113.533 -1.667 . . . . 73.21 108.047 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -153.94 134.1 13.28 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.135 -0.691 . . . . 75.04 109.135 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.71 83.3 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.963 0.905 . . . . 71.22 113.287 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -73.37 -43.94 59.62 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.938 0.495 . . . . 75.41 111.301 -174.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.6 -59.32 2.8 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.783 0.433 . . . . 74.32 110.384 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 C--O 1.247 0.947 0 N-CA-C 109.162 -0.681 . . . . 71.34 109.162 -174.77 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mtt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 109.891 -0.411 . . . . 72.51 109.891 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 m -132.95 80.39 60.61 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 123.295 0.638 . . . . 72.14 110.634 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -86.69 151.65 8.76 Favored 'Trans proline' 0 C--N 1.37 1.687 0 C-N-CA 122.701 2.267 . . . . 74.14 110.35 168.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.4 tt -64.27 127.31 91.92 Favored Pre-proline 0 CA--C 1.564 1.489 0 N-CA-C 108.55 -0.907 . . . . 72.44 108.55 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -65.56 126.88 16.91 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 122.587 2.191 . . . . 73.05 110.872 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.5 mt -154.82 -56.17 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 125.223 1.409 . . . . 70.4 108.975 -173.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -89.45 37.38 0.38 Allowed 'Trans proline' 0 C--N 1.397 3.09 0 C-N-CA 122.12 1.88 . . . . 62.23 111.349 176.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -61.7 -17.9 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.287 1.035 . . . . 72.12 111.056 170.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.91 105.42 17.56 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 105.664 -1.976 . . . . 70.34 105.664 158.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.02 -75.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.383 0.673 . . . . 64.45 111.215 -165.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -139.78 161.27 37.96 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 125.118 1.367 . . . . 75.33 107.986 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -51.38 -34.77 35.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.095 0.958 . . . . 70.2 112.57 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.32 -59.56 5.09 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.514 0.726 . . . . 71.41 110.576 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.42 94.25 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.11 0.964 . . . . 64.41 110.811 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.485 ' O ' HG13 ' A' ' 19' ' ' ILE . 50.1 t90 -61.87 -63.71 1.17 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.604 1.561 . . . . 74.42 110.022 -177.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 ttm-85 -58.48 -41.0 84.29 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.326 1.05 . . . . 73.11 110.761 -177.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.55 97.24 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 123.898 0.749 . . . . 60.43 111.758 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -62.11 -46.73 87.76 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.705 0.802 . . . . 74.35 111.184 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 15' ' ' TRP . 9.7 mt -72.67 -39.0 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 123.506 0.504 . . . . 74.31 111.045 -174.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.83 95.87 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.885 0.741 . . . . 70.03 109.842 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.45 73.23 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 124.117 0.886 . . . . 72.53 111.233 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -70.92 -50.17 37.76 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.238 1.015 . . . . 63.04 111.196 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -71.37 -34.5 70.5 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.055 -0.521 . . . . 72.55 110.436 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 -34.27 71.77 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 122.146 0.178 . . . . 60.51 110.757 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -57.25 -50.62 72.31 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.802 0.841 . . . . 62.42 110.894 172.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -64.93 -38.67 91.74 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-O 118.923 -0.56 . . . . 71.2 110.799 177.144 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.461 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -52.79 -52.14 57.91 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.187 0.595 . . . . 75.01 111.393 176.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -77.26 -27.45 53.21 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.466 0.479 . . . . 74.33 111.543 -177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -57.58 -64.88 0.75 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.221 0.608 . . . . 71.5 111.763 -175.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.531 HD23 HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -77.64 -8.09 57.38 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 112.382 0.512 . . . . 73.54 112.382 -176.484 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.71 -39.35 24.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.89 0.476 . . . . 53.13 110.653 173.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.1 p -107.64 -57.09 2.14 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.455 0.539 . . . . 61.43 112.455 -175.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -58.53 144.97 40.82 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.772 0.829 . . . . 64.21 113.074 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -78.6 -22.14 47.49 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 114.165 -1.38 . . . . 73.33 111.005 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -60.01 -30.35 69.09 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.65 1.18 . . . . 54.14 112.621 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -144.39 100.74 4.79 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 106.682 -1.599 . . . . 70.23 106.682 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' O ' ' HA3' ' A' ' 163' ' ' GLY . 74.0 Cg_endo -82.29 145.5 13.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 121.732 1.621 . . . . 75.21 112.297 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.531 HD11 HD23 ' A' ' 30' ' ' LEU . 32.8 mt -90.32 136.22 28.76 Favored Pre-proline 0 N--CA 1.48 1.029 0 N-CA-C 106.675 -1.602 . . . . 73.53 106.675 159.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.04 143.98 95.47 Favored 'Trans proline' 0 C--N 1.387 2.601 0 C-N-CA 122.733 2.289 . . . . 53.14 111.546 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -54.21 -36.37 85.72 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.175 2.583 . . . . 73.33 113.303 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.9 -50.14 63.38 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 123.764 0.665 . . . . 64.22 111.566 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.12 -23.79 62.16 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.51 0.724 . . . . 74.03 111.902 -177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -63.8 -26.77 68.78 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.271 0.628 . . . . 70.34 110.969 175.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.41 -37.81 95.26 Favored Glycine 0 C--N 1.354 1.535 0 N-CA-C 112.059 -0.416 . . . . 44.33 112.059 173.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.99 -10.85 59.66 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.366 0.876 . . . . 61.54 113.366 174.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -77.53 106.58 9.4 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 118.614 0.643 . . . . 74.12 110.062 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -109.97 -37.13 5.69 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 106.909 -1.515 . . . . 73.32 106.909 163.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.75 146.62 7.99 Favored Glycine 0 C--O 1.246 0.882 0 N-CA-C 108.795 -1.722 . . . . 71.53 108.795 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.22 118.39 5.43 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 123.041 0.536 . . . . 73.33 109.896 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -73.75 127.05 31.76 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.313 -0.995 . . . . 64.22 108.313 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.81 171.95 15.94 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 123.815 0.697 . . . . 71.52 112.6 -170.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -77.79 156.67 30.37 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 114.23 -1.35 . . . . 51.05 109.842 173.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -97.05 177.55 5.56 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.375 -0.829 . . . . 65.44 111.089 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.9 mm -85.33 112.86 22.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.432 -0.804 . . . . 71.35 110.476 -165.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -122.6 127.48 49.47 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.186 0.594 . . . . 64.33 111.237 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.55 -15.22 58.08 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.586 1.154 . . . . 75.21 113.742 -171.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -68.3 -20.49 64.76 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 118.231 0.469 . . . . 72.21 111.076 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -73.06 8.42 1.61 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.082 0.953 . . . . 73.52 113.453 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HD3' ' HB3' ' A' ' 150' ' ' ASP . 11.8 tpp180 -78.74 94.06 5.05 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.462 0.705 . . . . 72.34 109.95 -176.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 m -102.03 143.24 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 108.917 -0.771 . . . . 71.41 108.917 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.47 130.48 40.83 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.873 -0.788 . . . . 71.41 108.873 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.69 135.62 55.07 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.89 0.476 . . . . 72.54 110.654 -174.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -74.91 120.4 20.39 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.55 0.74 . . . . 72.12 109.59 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -88.2 125.02 34.41 Favored 'General case' 0 C--O 1.247 0.927 0 C-N-CA 124.021 0.928 . . . . 70.11 109.864 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -131.56 104.9 14.45 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.861 0.864 . . . . 74.14 109.45 172.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -69.53 148.93 67.69 Favored 'Trans proline' 0 C--N 1.371 1.716 0 C-N-CA 121.946 1.764 . . . . 72.12 110.042 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.73 102.38 8.06 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.884 -0.784 . . . . 43.11 108.884 -176.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -59.23 -24.89 63.55 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.898 0.879 . . . . 73.44 110.507 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -123.67 84.03 53.7 Favored Pre-proline 0 CA--C 1.558 1.257 0 C-N-CA 124.901 1.28 . . . . 74.14 108.44 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -81.88 132.32 7.44 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.173 1.915 . . . . 71.04 111.761 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 86' ' ' THR . 12.7 pt-20 -140.4 157.37 45.64 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.056 0.542 . . . . 71.52 110.589 -177.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.85 113.02 21.06 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 123.848 0.717 . . . . 61.22 109.283 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 17.1 m -105.91 156.26 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.377 1.071 . . . . 62.12 108.536 178.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.63 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 43.6 mt-10 -109.87 107.79 17.86 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 123.518 0.727 . . . . 53.13 109.462 -171.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 170' ' ' PRO . 1.2 mm? -101.76 134.44 44.92 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.47 -1.307 . . . . 74.51 107.47 177.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.25 149.55 49.35 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.013 -0.736 . . . . 74.53 109.013 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.3 p -119.15 168.41 10.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.797 0.439 . . . . 74.3 110.568 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.3 p -89.98 -23.94 21.38 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.057 -0.974 . . . . 51.53 109.87 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -32.92 72.29 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.022 0.929 . . . . 73.35 111.667 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.91 -123.86 1.28 Allowed Glycine 0 CA--C 1.523 0.569 0 CA-C-O 118.09 -1.395 . . . . 40.11 111.19 -174.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -64.6 147.84 90.24 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.95 2.434 . . . . 53.1 111.974 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -58.13 145.45 92.3 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 123.136 2.557 . . . . 53.41 113.217 -174.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.92 129.72 44.33 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 123.831 0.852 . . . . 62.25 109.658 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.63 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 45.9 mt-10 -93.03 121.22 34.14 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.024 0.53 . . . . 74.51 109.954 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.43 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 60.6 m-85 -123.69 141.79 51.69 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.249 -1.019 . . . . 74.14 108.249 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 71' ' ' GLU . 37.1 m -84.64 144.08 28.82 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.869 -0.419 . . . . 62.43 109.869 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.7 mtm105 -75.19 108.74 8.15 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.011 -0.737 . . . . 71.24 109.011 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -87.49 -48.06 8.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.185 0.594 . . . . 74.43 111.51 178.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -152.54 173.68 14.86 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.303 0.641 . . . . 74.12 110.385 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.1 t -136.05 125.07 38.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.067 0 C-N-CA 124.761 1.224 . . . . 72.22 107.742 173.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.15 123.6 48.27 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.814 0.846 . . . . 74.52 110.79 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.87 121.12 5.74 Favored Glycine 0 N--CA 1.476 1.358 0 CA-C-O 119.596 -0.558 . . . . 72.13 112.263 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -152.87 -174.31 4.88 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 117.761 0.781 . . . . 75.25 110.479 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.525 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 7.9 p-10 -138.38 157.68 45.75 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.754 0.822 . . . . 64.31 110.217 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.4 tp -160.27 140.31 11.42 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.443 1.097 . . . . 60.34 108.804 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.83 -107.23 1.92 Allowed Glycine 0 C--N 1.351 1.4 0 N-CA-C 112.293 -0.323 . . . . 75.01 112.293 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.76 6.82 9.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.31 1.044 . . . . 53.15 110.152 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.3 m -132.87 131.33 40.84 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.561 0.578 . . . . 75.3 112.561 -171.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 6.4 p80 -88.2 137.54 32.24 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.673 -0.862 . . . . 73.42 108.673 170.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -141.54 151.01 42.86 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.463 0.649 . . . . 65.44 110.271 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.1 m -125.63 119.23 27.49 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.23 -1.35 . . . . 64.23 107.602 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 84.3 mt -107.72 150.83 26.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.486 0.714 . . . . 64.14 110.096 -175.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.6 m -93.23 126.69 38.47 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.929 -0.767 . . . . 73.42 108.929 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -95.83 125.13 40.19 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.32 1.048 . . . . 61.5 108.519 174.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 29.3 m-85 -98.96 155.51 17.38 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.917 0.389 . . . . 64.11 110.782 -177.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.51 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 78.8 ttt180 -92.87 115.68 28.34 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.332 -0.988 . . . . 72.25 108.332 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.17 108.72 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.6 -1.259 . . . . 75.52 107.6 169.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.91 138.93 57.7 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.955 -1.02 . . . . 71.25 110.763 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 87.97 -25.41 8.81 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 116.33 -0.395 . . . . 43.21 112.847 -174.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -106.16 127.3 53.11 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.619 1.168 . . . . 75.3 109.853 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.3 t -73.76 -18.79 60.93 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.179 0.992 . . . . 50.23 111.901 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 48.7 m -84.03 140.04 32.12 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.016 0.526 . . . . 72.43 109.692 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.411 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 31.5 mt -82.06 145.63 30.09 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.356 1.063 . . . . 75.34 109.037 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.52 102.44 10.79 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.721 -0.844 . . . . 72.22 108.721 -171.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.7 t -105.14 104.18 45.79 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 123.575 0.75 . . . . 70.34 110.16 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -91.16 128.07 1.2 Allowed 'Trans proline' 0 C--N 1.368 1.596 0 C-N-CA 123.127 2.551 . . . . 75.32 112.272 174.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.647 ' HA ' ' HB2' ' A' ' 174' ' ' ASN . 21.4 p90 -146.7 172.71 13.2 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.655 0.782 . . . . 74.2 110.224 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 39.7 p -133.56 168.64 18.29 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 108.555 -0.906 . . . . 72.42 108.555 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -162.81 -165.06 1.07 Allowed 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.23 0.331 . . . . 74.2 111.777 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.25 -31.55 43.55 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.424 0.528 . . . . 65.03 112.424 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.3 m -70.72 -34.48 71.94 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.026 0.531 . . . . 74.03 110.627 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.712 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 20.9 p -68.58 -40.39 80.56 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 115.72 -0.673 . . . . 74.34 110.433 170.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.73 -32.3 70.42 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.971 0.908 . . . . 72.13 111.907 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -63.31 -21.35 66.2 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.8 0.84 . . . . 74.23 112.981 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 70.36 8.56 62.7 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 123.454 0.471 . . . . 74.52 113.921 -172.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.561 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 5.4 mmp_? -92.59 -4.86 52.73 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.989 0.515 . . . . 54.14 110.4 175.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 184' ' ' GLU . 28.7 p -129.33 155.93 44.84 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 106.27 -1.752 . . . . 64.45 106.27 156.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -63.4 115.07 4.28 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.009 0.433 . . . . 74.31 110.941 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.712 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 1.7 pp20? -70.24 -12.75 61.81 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.276 1.03 . . . . 63.22 113.283 -174.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 25.0 m80 -66.65 -20.65 66.03 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 123.355 0.409 . . . . 72.43 111.068 -172.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 157' ' ' PRO . . . 163.56 146.07 4.59 Favored Glycine 0 C--N 1.338 0.685 0 CA-C-N 115.799 -0.637 . . . . 62.21 111.667 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.512 ' HD2' ' HB1' ' A' ' 154' ' ' ALA . 10.1 tpp180 -112.48 141.87 45.71 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.179 -1.415 . . . . 63.34 107.179 168.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -111.1 170.54 8.04 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.81 0.732 . . . . 73.52 110.516 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.2 tt -149.84 122.77 8.76 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 106.431 -1.692 . . . . 65.23 106.431 167.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -96.78 103.66 15.6 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 107.906 -1.146 . . . . 60.52 107.906 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.0 t -99.77 124.57 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 115.057 -0.974 . . . . 73.45 110.38 -171.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -86.0 118.84 71.19 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 108.109 -1.071 . . . . 62.31 108.109 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.1 -32.04 75.31 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.779 2.319 . . . . 73.22 112.974 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 47.25 43.4 14.78 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.426 1.09 . . . . 54.34 113.27 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 66.26 33.61 85.58 Favored Glycine 0 C--N 1.347 1.142 0 N-CA-C 114.78 0.672 . . . . 73.11 114.78 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -83.3 158.11 22.35 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.954 0.502 . . . . 71.23 110.686 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -143.63 -175.45 4.57 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 108.272 -1.01 . . . . 65.01 108.272 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -66.34 117.67 9.9 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 117.932 0.333 . . . . 53.42 112.44 -173.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.31 3.57 58.68 Favored Glycine 0 N--CA 1.467 0.732 0 O-C-N 123.742 0.319 . . . . 44.4 112.73 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -87.26 -178.37 6.19 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.966 -1.124 . . . . 74.2 107.966 164.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -137.14 163.5 30.69 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.796 0.331 . . . . 64.14 110.477 174.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 21.6 m -134.22 153.87 36.6 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 C-N-CA 124.171 0.988 . . . . 61.54 108.994 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -82.09 113.87 20.24 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 108.987 -0.746 . . . . 53.41 108.987 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.9 mt -112.99 86.4 2.37 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.365 -0.976 . . . . 75.52 108.365 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.434 ' HB3' ' HD3' ' A' ' 59' ' ' ARG . 8.3 p-10 -99.72 123.94 44.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.311 -0.996 . . . . 44.22 108.311 171.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.458 ' HB3' HG23 ' A' ' 180' ' ' ILE . 58.9 m-85 -69.6 -12.33 61.56 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 114.465 -1.243 . . . . 71.24 113.484 -168.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -68.33 -8.42 39.77 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 111.858 0.318 . . . . 74.23 111.858 170.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.58 -0.41 57.32 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.611 0.764 . . . . 64.54 112.284 167.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 132' ' ' ARG . . . -52.28 127.68 22.85 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.535 0.522 . . . . 61.31 110.672 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -96.54 155.16 16.88 Favored 'General case' 0 C--O 1.255 1.343 0 CA-C-O 122.063 0.935 . . . . 74.22 109.698 -169.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.548 HD21 ' HB3' ' A' ' 160' ' ' ALA . 0.2 OUTLIER -96.85 121.95 58.04 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 113.356 -1.747 . . . . 73.12 108.887 -168.308 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 157' ' ' PRO . . . . . 0.449 ' HG3' ' O ' ' A' ' 131' ' ' GLY . 65.9 Cg_endo -68.24 144.99 64.67 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.652 2.235 . . . . 71.21 110.654 173.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.474 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 27.0 m-85 -73.77 -11.51 60.41 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.677 0.621 . . . . 63.31 112.677 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 165' ' ' PHE . 30.4 p -60.82 -28.46 68.81 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.303 0.641 . . . . 40.24 111.31 169.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.548 ' HB3' HD21 ' A' ' 156' ' ' ASN . . . -81.33 5.16 18.19 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.718 1.007 . . . . 73.3 113.718 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 52.6 m-85 -114.81 -8.49 12.59 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.081 0.552 . . . . 63.3 110.14 178.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 91.49 -51.88 3.04 Favored Glycine 0 C--N 1.352 1.438 0 CA-C-O 119.65 -0.528 . . . . 55.43 113.969 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 37' ' ' PRO . . . -64.53 -97.73 0.02 OUTLIER Glycine 0 C--N 1.36 1.87 0 CA-C-O 119.202 -0.777 . . . . 62.14 114.305 -170.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.6 t -64.32 85.99 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.269 1.034 . . . . 71.15 109.469 166.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 159' ' ' CYS . 26.8 p90 -84.12 76.53 10.07 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.749 0.785 . . . . 75.24 110.71 -171.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.8 p -119.27 117.24 28.06 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.283 0.633 . . . . 73.33 112.016 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 130' ' ' HIS . 28.1 p -147.4 147.24 30.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.198 0.999 . . . . 65.41 108.661 164.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -109.27 113.03 25.52 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.541 0.736 . . . . 54.15 109.83 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.2 mp -81.66 117.98 70.39 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 124.995 1.318 . . . . 72.12 109.861 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.1 Cg_endo -84.77 173.63 8.14 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 123.65 2.9 . . . . 63.45 112.316 176.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.15 156.7 28.46 Favored 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 122.465 2.11 . . . . 71.14 112.517 169.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -57.08 -12.98 2.44 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 115.743 1.757 . . . . 73.31 115.743 -168.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.71 -6.37 44.04 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 122.93 0.492 . . . . 71.34 111.434 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.647 ' HB2' ' HA ' ' A' ' 117' ' ' PHE . 23.8 p-10 -78.06 -10.14 59.47 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.517 0.727 . . . . 73.5 111.411 177.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -89.02 102.06 14.71 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 123.048 0.539 . . . . 73.14 109.962 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 53.7 t -79.95 118.55 73.0 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 107.804 -1.184 . . . . 63.34 107.804 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -75.88 62.11 6.48 Favored 'Trans proline' 0 C--N 1.371 1.712 0 C-N-CA 122.617 2.212 . . . . 63.34 112.02 175.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -151.42 155.99 39.74 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.723 1.209 . . . . 54.54 108.896 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -84.31 108.71 17.31 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.343 0.657 . . . . 72.32 110.016 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' ILE . . . . . 0.458 HG23 ' HB3' ' A' ' 151' ' ' PHE . 2.0 mp -97.25 89.31 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 104.859 -2.274 . . . . 44.45 104.859 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.52 65.85 7.84 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.237 -0.892 . . . . 71.45 110.019 -173.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -160.51 118.1 2.49 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.271 -1.332 . . . . 73.3 107.45 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 172.16 -158.01 28.25 Favored Glycine 0 N--CA 1.461 0.316 0 N-CA-C 108.604 -1.798 . . . . 54.21 108.604 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' GLU . . . . . 0.6 ' O ' HG22 ' A' ' 127' ' ' THR . 3.3 mp0 -68.11 157.99 34.05 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.152 -1.055 . . . . 63.11 108.152 163.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -114.44 125.28 53.65 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 105.915 -1.883 . . . . 74.1 105.915 161.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 9.6 t -128.14 149.35 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 109.572 -0.529 . . . . 72.4 109.572 -160.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -89.13 153.0 21.31 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.874 0.869 . . . . 63.05 111.783 -174.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -58.29 -24.15 58.62 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.682 1.239 . . . . 41.14 112.448 161.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -58.56 -42.02 87.0 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.859 0.864 . . . . 52.33 111.86 174.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -90.02 -57.65 2.78 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.223 -0.658 . . . . 75.35 109.223 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 191' ' ' GLU . . . . . 0.476 ' HB2' HH21 ' A' ' 126' ' ' ARG . 17.8 mm-40 . . . . . 0 CA--C 1.554 1.11 0 C-N-CA 123.929 0.892 . . . . 75.4 110.44 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 109.979 -0.378 . . . . 52.44 109.979 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 66.9 m -148.47 -50.14 0.02 OUTLIER Pre-proline 0 CA--C 1.567 1.601 0 C-N-CA 123.391 0.676 . . . . 72.24 111.048 176.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.422 ' HD3' ' HB2' ' A' ' 2' ' ' SER . 44.4 Cg_endo -95.73 -177.48 0.41 Allowed 'Trans proline' 0 C--N 1.393 2.892 0 C-N-CA 122.627 2.218 . . . . 63.45 111.393 166.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.1 tt -82.15 140.78 46.07 Favored Pre-proline 0 CA--C 1.561 1.369 0 N-CA-C 107.204 -1.406 . . . . 62.42 107.204 167.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -61.11 124.77 15.5 Favored 'Trans proline' 0 C--N 1.378 2.097 0 CA-C-N 120.772 1.311 . . . . 72.33 112.003 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mt 172.78 -55.15 0.0 OUTLIER Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 125.607 1.563 . . . . 63.34 108.242 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -83.5 24.5 0.75 Allowed 'Trans proline' 0 C--N 1.406 3.568 0 C-N-CA 122.628 2.219 . . . . 71.54 112.238 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 m -63.89 -12.01 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.971 1.308 . . . . 74.15 112.181 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 t -88.17 33.66 0.74 Allowed 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 125.668 1.587 . . . . 73.13 110.479 170.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 26.4 -104.79 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 126.388 1.875 . . . . 75.22 114.066 -169.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -136.6 157.47 46.7 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 105.299 -2.111 . . . . 65.31 105.299 168.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 21.3 t70 -47.03 -42.15 17.81 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 113.135 0.791 . . . . 75.44 113.135 -173.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.79 -59.14 5.9 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.59 0.756 . . . . 74.13 111.588 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.31 97.33 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.028 -0.987 . . . . 41.03 111.512 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.487 ' O ' HG13 ' A' ' 19' ' ' ILE . 49.8 t90 -61.37 -44.49 97.07 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.946 1.298 . . . . 74.42 110.906 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 11.7 ttt85 -65.99 -44.32 85.19 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.516 1.126 . . . . 74.22 109.287 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.02 85.9 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 115.072 -0.967 . . . . 61.53 111.586 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -62.57 -47.66 82.87 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 123.005 0.522 . . . . 75.51 110.675 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.544 HG12 HD11 ' A' ' 153' ' ' LEU . 54.1 mt -60.95 -48.25 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.345 0.258 . . . . 54.13 110.407 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.47 -44.14 80.28 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 124.126 0.891 . . . . 73.42 110.888 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.9 -49.98 72.65 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.308 -0.86 . . . . 63.25 111.573 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -75.7 -30.34 59.28 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.831 0.852 . . . . 71.32 112.158 -175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -75.78 -42.79 49.2 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 108.627 -0.879 . . . . 62.22 108.627 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.01 -30.22 67.47 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.068 -0.969 . . . . 32.05 110.757 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.489 ' HA ' ' HG2' ' A' ' 28' ' ' GLU . 27.4 t70 -65.48 -41.32 93.43 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 123.381 0.426 . . . . 73.04 110.272 171.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -64.98 -37.64 88.33 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.717 0.407 . . . . 72.24 111.184 175.333 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.8 -42.23 86.3 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 122.831 0.452 . . . . 73.21 111.232 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HG2' ' HA ' ' A' ' 25' ' ' ASP . 10.0 pt-20 -80.73 -24.4 38.78 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 119.113 -0.47 . . . . 73.12 112.06 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.483 ' HB3' HD13 ' A' ' 30' ' ' LEU . 56.0 t80 -49.85 -61.97 1.83 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.724 1.21 . . . . 65.12 111.344 -172.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.751 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.57 -4.48 31.0 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-N 115.093 -0.958 . . . . 55.2 112.244 -173.817 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.9 -43.16 9.11 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.576 0.75 . . . . 74.24 110.416 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 28' ' ' GLU . 14.7 t -121.4 33.19 5.61 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.821 0.82 . . . . 74.15 111.466 -172.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -142.02 115.22 8.84 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.975 -1.011 . . . . 71.03 109.982 174.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.01 -33.68 72.33 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.144 1.377 . . . . 75.45 112.375 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -72.81 -8.46 55.6 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.326 0.65 . . . . 75.22 112.449 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -156.49 77.25 4.31 Favored Pre-proline 0 N--CA 1.477 0.913 0 N-CA-C 107.075 -1.454 . . . . 63.3 107.075 173.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -92.89 151.43 2.7 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 122.93 2.42 . . . . 60.51 112.977 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.751 HG13 ' HB2' ' A' ' 30' ' ' LEU . 15.7 mt -76.33 127.27 85.13 Favored Pre-proline 0 CA--C 1.554 1.117 0 N-CA-C 107.017 -1.475 . . . . 72.25 107.017 164.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -46.01 140.77 10.0 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 124.282 3.321 . . . . 74.02 113.341 -175.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -47.84 -39.26 31.5 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 124.094 3.196 . . . . 75.45 114.834 -165.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.27 -47.57 79.06 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 121.287 0.565 . . . . 65.11 111.093 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.4 -25.35 59.42 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.032 0.933 . . . . 70.44 111.168 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -62.76 -35.41 79.73 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.528 1.131 . . . . 54.41 110.532 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.98 -39.19 63.84 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.129 -0.788 . . . . 51.32 111.129 172.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.67 10.32 11.54 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 124.246 1.018 . . . . 63.23 113.129 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -69.63 102.15 1.8 Allowed 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.253 0.549 . . . . 70.34 109.788 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -91.96 -25.64 18.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.187 0.995 . . . . 73.44 109.571 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.78 158.12 9.63 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 114.996 -1.002 . . . . 73.34 110.604 -176.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.97 148.56 31.14 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.652 -0.499 . . . . 75.53 109.652 176.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.561 ' HD3' ' H ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -68.96 136.1 52.0 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.666 -0.697 . . . . 73.44 109.176 174.374 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -107.9 118.6 37.18 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.367 0.667 . . . . 60.35 110.134 -172.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -83.78 134.1 34.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 107.999 -1.112 . . . . 71.1 107.999 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -74.04 155.04 38.96 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.513 0.325 . . . . 74.24 110.204 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.506 HD12 HG21 ' A' ' 19' ' ' ILE . 23.6 mm -75.45 132.66 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.467 0.707 . . . . 74.51 110.993 -169.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -136.64 110.46 8.16 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 122.97 0.508 . . . . 74.4 111.562 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.75 -5.21 56.82 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.275 1.03 . . . . 64.41 111.996 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 m -75.97 -28.8 58.03 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.027 0.441 . . . . 71.22 110.287 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.53 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 18.0 m-85 -75.77 12.05 1.18 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.041 0.936 . . . . 71.21 113.041 173.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -85.76 98.62 10.83 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 108.724 -0.843 . . . . 73.42 108.724 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.5 m -100.55 137.19 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 107.83 -1.174 . . . . 71.21 107.83 169.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.82 113.58 20.55 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 107.209 -1.404 . . . . 54.34 107.209 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.41 136.08 42.88 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.384 -0.599 . . . . 71.21 109.384 -173.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -73.3 110.32 7.5 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 107.966 -1.124 . . . . 73.11 107.966 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -79.5 119.34 22.36 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 115.074 -0.966 . . . . 61.42 110.284 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -113.47 144.05 30.56 Favored Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 107.196 -1.409 . . . . 72.24 107.196 164.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -94.54 167.06 1.81 Allowed 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 122.752 2.301 . . . . 52.43 112.076 169.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.5 125.57 28.23 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 110.067 -0.346 . . . . 72.24 110.067 167.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -57.3 -38.16 73.57 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.73 0.812 . . . . 75.43 111.348 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -150.51 96.92 3.35 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 107.165 -1.42 . . . . 54.33 107.165 172.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -47.75 130.28 18.71 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 123.603 2.869 . . . . 73.5 113.451 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.65 157.1 45.02 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.645 0.778 . . . . 75.21 111.18 -174.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.71 126.46 32.91 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.13 0.972 . . . . 75.04 110.937 -175.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 21.3 m -113.16 155.21 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.961 0.905 . . . . 74.5 108.858 172.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -101.78 111.32 23.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.276 0.63 . . . . 72.01 109.872 -176.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.89 115.99 31.7 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 107.629 -1.249 . . . . 73.12 107.629 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.91 140.71 57.66 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.014 -0.735 . . . . 60.41 109.014 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.1 p -115.29 161.58 18.29 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.48 0.582 . . . . 71.42 110.978 -168.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.1 p -74.09 -25.15 59.65 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.209 -0.905 . . . . 74.11 110.0 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -71.54 -31.77 67.4 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.728 1.211 . . . . 72.32 111.994 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.64 -120.9 1.34 Allowed Glycine 0 C--N 1.347 1.149 0 CA-C-O 118.812 -0.993 . . . . 54.21 111.476 -174.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 34.3 Cg_endo -59.67 145.22 98.71 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 123.341 2.694 . . . . 64.02 112.252 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 51.2 Cg_exo -55.86 151.87 38.63 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 123.186 2.591 . . . . 74.13 114.815 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.74 127.09 48.67 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.821 -1.081 . . . . 75.01 108.725 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 8.6 pt-20 -73.85 125.83 29.04 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.598 0.561 . . . . 75.24 110.184 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -128.21 133.23 48.83 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 107.406 -1.331 . . . . 72.05 107.406 169.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.5 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 51.6 m -78.84 148.51 32.81 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 108.628 -0.878 . . . . 54.05 108.628 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -85.06 113.99 21.88 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.697 -0.853 . . . . 72.21 108.697 172.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -86.84 -47.35 9.12 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.543 0.687 . . . . 73.41 110.346 176.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . . . -151.82 168.86 23.75 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 114.776 -1.102 . . . . 71.31 110.217 -171.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.6 t -131.73 113.93 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 124.766 1.226 . . . . 70.52 107.914 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.38 122.76 38.43 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.168 0.587 . . . . 73.31 109.936 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.44 134.69 11.32 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 110.126 -1.189 . . . . 72.2 110.126 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -152.85 -175.72 5.44 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.116 0.958 . . . . 70.34 110.473 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.68 154.97 46.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.898 0.879 . . . . 74.13 109.531 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.73 125.85 3.77 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 106.118 -1.808 . . . . 63.21 106.118 -175.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.73 -125.21 27.91 Favored Glycine 0 C--N 1.353 1.484 0 N-CA-C 110.791 -0.924 . . . . 70.02 110.791 -169.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -109.24 21.12 17.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.3 0.64 . . . . 64.24 110.402 169.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.2 m -117.42 124.11 48.06 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.865 0.466 . . . . 64.53 111.111 -173.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -92.36 117.04 29.51 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.617 -1.253 . . . . 75.11 107.617 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -135.42 149.97 49.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.622 0.725 . . . . 72.53 110.922 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.5 m -129.61 125.14 35.44 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 114.159 -1.382 . . . . 71.23 110.064 -167.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.0 mt -108.72 138.12 45.56 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.538 -0.912 . . . . 63.22 108.538 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.0 m -88.6 130.21 35.32 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.897 -0.409 . . . . 71.43 109.897 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -96.41 119.41 34.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.604 0.762 . . . . 33.23 109.576 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -95.28 149.88 20.85 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.119 0.568 . . . . 70.15 111.244 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 60.2 ttt180 -92.18 111.83 23.54 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 107.78 -1.193 . . . . 74.25 107.78 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.61 145.01 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.579 0.752 . . . . 63.14 111.068 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -81.94 136.34 35.31 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.513 -1.221 . . . . 74.2 109.417 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.12 -39.85 2.64 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 123.031 0.348 . . . . 51.11 113.194 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -91.6 121.71 33.51 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.006 0.922 . . . . 52.12 110.578 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.1 t -77.44 -11.84 59.89 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.924 1.289 . . . . 62.44 113.021 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.2 m -91.11 150.57 21.34 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.279 0.632 . . . . 73.13 109.888 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.436 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 66.3 mt -80.99 136.51 36.02 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.023 0.929 . . . . 74.25 109.29 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -96.11 98.22 10.17 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 107.853 -1.166 . . . . 73.33 107.853 -176.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.2 t -106.86 96.22 14.18 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 123.564 0.745 . . . . 63.31 108.995 -175.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.599 ' HB2' ' HB3' ' A' ' 170' ' ' PRO . 85.5 Cg_endo -82.27 146.75 14.17 Favored 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 122.225 1.95 . . . . 74.54 111.139 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -161.46 162.28 30.43 Favored 'General case' 0 C--O 1.252 1.188 0 CA-C-O 121.521 0.677 . . . . 72.05 111.107 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 p -133.46 154.8 50.5 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.771 -1.559 . . . . 71.34 108.213 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.489 ' HB3' ' O ' ' A' ' 178' ' ' ALA . 1.8 m-20 -129.97 -169.98 2.23 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.867 0.867 . . . . 41.44 109.438 -174.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.04 -22.11 58.62 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 122.253 0.221 . . . . 72.44 111.502 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -36.95 76.38 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.418 0.687 . . . . 73.43 110.035 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -34.27 72.36 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.101 1.36 . . . . 65.52 112.894 -173.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.17 -34.32 56.39 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.648 1.179 . . . . 64.44 113.127 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.12 -18.37 65.25 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.438 0.695 . . . . 71.11 111.944 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 87.15 -26.3 7.02 Favored Glycine 0 C--N 1.353 1.497 0 N-CA-C 115.523 0.969 . . . . 73.23 115.523 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -65.45 -36.25 83.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.344 0.658 . . . . 64.44 112.492 -170.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.413 ' HB ' ' HD1' ' A' ' 128' ' ' TYR . 40.2 p -120.44 143.71 48.35 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.374 0.67 . . . . 52.23 111.031 -172.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.44 ' OH ' ' HB2' ' A' ' 119' ' ' ASP 0.266 10.3 p90 34.93 55.84 0.74 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 127.483 2.313 . . . . 72.5 113.991 174.543 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -43.41 -47.26 6.91 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.51 -2.132 . . . . 71.41 112.159 173.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -103.45 13.83 32.7 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.741 0.816 . . . . 74.21 111.727 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.15 171.1 26.1 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 111.257 -0.737 . . . . 64.5 111.257 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.686 HH11 ' HB3' ' A' ' 184' ' ' GLU . 38.8 ptt180 -135.61 146.12 47.58 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.75 -0.833 . . . . 73.21 108.75 175.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -92.8 172.34 8.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.112 0.565 . . . . 72.55 110.169 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.422 HD22 HG22 ' A' ' 136' ' ' VAL . 1.5 tt -144.19 121.2 11.39 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 105.554 -2.017 . . . . 74.52 105.554 168.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -90.13 98.24 11.65 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 107.551 -1.277 . . . . 75.43 107.551 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.422 HG22 HD22 ' A' ' 134' ' ' LEU . 60.9 t -99.5 128.86 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 115.345 -0.843 . . . . 74.31 109.768 -171.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -87.45 116.13 65.11 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 107.212 -1.403 . . . . 64.4 107.212 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.68 -21.81 58.35 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.383 2.055 . . . . 62.23 112.702 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.42 29.35 16.82 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.313 1.045 . . . . 65.22 113.122 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 53.32 47.32 62.28 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-N 116.112 -0.495 . . . . 60.43 114.066 -168.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -81.87 162.1 22.91 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.844 0.458 . . . . 72.22 110.229 173.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -126.41 173.76 9.12 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.888 0.875 . . . . 62.4 108.647 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.86 118.65 13.76 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-O 119.935 -0.37 . . . . 51.05 112.379 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 107.7 -14.28 38.43 Favored Glycine 0 C--N 1.336 0.55 0 CA-C-O 119.573 -0.57 . . . . 61.31 112.696 -177.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.88 -174.67 3.17 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 117.03 0.415 . . . . 72.01 110.114 175.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -140.49 157.72 45.07 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.926 0.49 . . . . 72.33 110.727 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 25.4 m -130.72 152.03 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.555 1.142 . . . . 55.31 109.013 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.03 106.03 11.75 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 109.648 -0.501 . . . . 73.4 109.648 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.73 86.51 4.41 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.305 -0.628 . . . . 72.41 109.305 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.85 106.41 7.41 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 107.533 -1.284 . . . . 72.25 107.533 164.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 30.1 m-85 -65.16 -18.89 65.68 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.488 0.315 . . . . 75.42 111.456 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -57.52 -33.96 68.61 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.886 0.874 . . . . 73.43 110.668 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.544 HD11 HG12 ' A' ' 19' ' ' ILE . 4.2 mm? -85.82 18.34 2.98 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.298 1.039 . . . . 74.23 111.986 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.5 130.05 44.59 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 120.833 0.349 . . . . 72.44 110.391 167.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -97.96 146.34 25.58 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.373 1.069 . . . . 73.12 108.603 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -102.64 136.18 19.37 Favored Pre-proline 0 N--CA 1.471 0.596 0 CA-C-O 119.036 -0.507 . . . . 65.55 110.016 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.2 141.87 96.9 Favored 'Trans proline' 0 C--N 1.379 2.167 0 C-N-CA 122.267 1.978 . . . . 74.52 109.745 172.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -63.37 -11.07 19.76 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 113.35 0.87 . . . . 64.52 113.35 -169.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 163' ' ' GLY . 11.4 p -66.89 -12.35 59.02 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.536 0.734 . . . . 71.22 112.685 174.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -86.38 -0.54 56.17 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.903 0.881 . . . . 73.21 112.09 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -110.33 -11.36 14.54 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.705 0.802 . . . . 73.41 110.891 -171.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 124.89 -22.7 6.36 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-N 116.246 -0.434 . . . . 65.5 112.027 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -80.18 151.76 33.63 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 123.625 0.25 . . . . 62.13 112.553 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 28.8 m -115.02 96.01 5.49 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.877 -0.786 . . . . 74.13 108.877 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.59 -173.67 2.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.16 0.584 . . . . 73.53 110.046 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 40.4 t -73.54 107.24 5.7 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.824 0.85 . . . . 51.33 110.465 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 33.5 m -100.71 114.45 28.21 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.122 -1.066 . . . . 71.33 108.122 177.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.37 102.11 5.01 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.45 0.7 . . . . 54.3 109.698 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 70.8 mt -65.05 116.69 32.25 Favored Pre-proline 0 CA--C 1.545 0.757 0 O-C-N 124.132 0.895 . . . . 74.24 110.024 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.599 ' HB3' ' HB2' ' A' ' 116' ' ' PRO . 62.3 Cg_endo -70.85 148.14 57.35 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.337 2.025 . . . . 74.31 112.069 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -64.92 163.22 29.09 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 122.255 1.97 . . . . 74.54 111.916 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -65.83 -16.32 63.71 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.055 0.542 . . . . 70.3 111.799 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.3 -19.42 64.58 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.977 1.311 . . . . 74.25 112.99 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -108.7 37.16 2.6 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.469 0.652 . . . . 64.42 111.822 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -102.51 114.41 28.59 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.401 -0.592 . . . . 70.2 109.401 173.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 33.1 m -91.94 138.58 24.68 Favored Pre-proline 0 CA--C 1.557 1.241 0 N-CA-C 109.999 -0.371 . . . . 74.33 109.999 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -86.55 50.39 2.32 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 123.883 3.055 . . . . 74.11 112.348 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 119' ' ' ASP . . . -145.55 146.76 31.54 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.272 -1.01 . . . . 75.3 108.272 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.42 122.87 34.4 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.128 -0.693 . . . . 43.11 109.128 173.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.04 108.22 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.018 -1.104 . . . . 71.24 108.018 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 43.4 p -85.01 81.28 8.96 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.715 0.769 . . . . 61.45 110.774 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -120.58 -162.52 0.95 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.665 1.186 . . . . 64.04 109.801 -177.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -68.29 105.6 1.48 Allowed Glycine 0 C--N 1.362 1.987 0 N-CA-C 110.404 -1.079 . . . . 34.23 110.404 172.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' GLU . . . . . 0.686 ' HB3' HH11 ' A' ' 132' ' ' ARG . 5.4 pt-20 -132.07 157.11 45.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.209 1.004 . . . . 73.21 111.542 -174.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -69.9 131.13 43.96 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 108.255 -1.017 . . . . 73.12 108.255 -174.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 2.7 p -166.67 132.55 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.188 0.595 . . . . 72.14 109.989 172.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' ASP . . . . . 0.44 ' HB3' HD23 ' A' ' 190' ' ' LEU . 64.4 m-20 -78.33 102.55 7.76 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 108.774 -0.825 . . . . 70.0 108.774 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -48.57 -38.38 20.44 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.017 1.327 . . . . 70.33 114.121 -178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -79.63 -33.42 41.43 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.307 0.643 . . . . 61.34 111.862 -176.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 187' ' ' ASP . 4.1 mm? -81.47 -58.53 2.99 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.044 0.538 . . . . 71.1 110.861 -174.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 . . . . . 0 C--O 1.249 1.041 0 C-N-CA 123.383 0.673 . . . . 75.03 111.49 -176.203 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 tpp . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.663 -0.495 . . . . 75.32 109.663 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 t -161.9 113.39 1.19 Allowed Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.692 0.797 . . . . 75.23 109.093 -178.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -72.32 -176.88 2.39 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 122.613 2.209 . . . . 74.3 110.195 166.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.5 tt -61.06 126.17 85.36 Favored Pre-proline 0 CA--C 1.563 1.479 0 N-CA-C 107.31 -1.367 . . . . 75.32 107.31 172.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.71 127.44 15.45 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 121.55 1.5 . . . . 65.45 111.095 -166.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mt -171.66 -54.51 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.059 0.944 . . . . 74.3 110.053 -169.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -78.87 18.57 0.99 Allowed 'Trans proline' 0 C--N 1.397 3.118 0 C-N-CA 122.173 1.915 . . . . 71.12 112.662 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m -68.12 -26.08 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.663 1.185 . . . . 64.42 110.044 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.411 ' OG1' ' HD2' ' A' ' 59' ' ' ARG . 9.1 t -85.14 86.64 7.36 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 107.428 -1.323 . . . . 64.15 107.428 162.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.5 t0 -28.59 148.97 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 126.914 2.085 . . . . 72.13 115.485 -178.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -47.67 137.05 9.73 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.106 0.962 . . . . 53.03 110.478 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -39.54 -49.32 2.13 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 115.438 1.644 . . . . 73.53 115.438 -162.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.25 -43.55 90.99 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 121.281 0.562 . . . . 75.21 110.602 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.58 -27.95 62.5 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.366 -0.834 . . . . 72.51 111.437 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.562 ' O ' HG13 ' A' ' 19' ' ' ILE . 37.9 t90 -70.76 -37.09 73.37 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.326 -0.62 . . . . 64.24 109.326 173.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -71.34 -27.15 63.17 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.017 0.527 . . . . 75.01 110.35 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.38 84.64 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.91 0.484 . . . . 74.33 111.248 165.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -66.85 -28.4 68.32 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.148 0.579 . . . . 74.12 111.082 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 153' ' ' LEU . 49.3 mt -72.4 -47.69 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.587 0.755 . . . . 71.13 109.906 176.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.41 76.19 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 124.558 1.162 . . . . 74.31 110.085 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.41 80.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.425 0.69 . . . . 61.53 111.221 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -53.27 53.33 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.822 0.849 . . . . 63.2 110.813 179.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -67.55 -38.62 84.42 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.593 0.357 . . . . 73.21 111.157 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.85 89.81 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.664 0.603 . . . . 63.13 110.887 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.7 -56.34 23.08 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.157 0.91 . . . . 54.41 110.63 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -57.21 -40.58 77.76 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.898 0.749 . . . . 75.22 111.374 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.71 -55.14 25.58 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.98 0.912 . . . . 63.4 111.381 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.21 -24.35 61.38 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.972 -0.558 . . . . 75.21 110.963 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.655 ' HE1' ' HB2' ' A' ' 36' ' ' SER . 35.7 t80 -52.83 -65.09 0.62 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.353 1.061 . . . . 73.51 111.87 -173.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.688 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.07 -18.3 65.25 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 111.746 0.276 . . . . 42.35 111.746 -175.337 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.1 -36.57 18.04 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.256 0.622 . . . . 64.51 111.581 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 p -117.54 -59.38 1.94 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.983 0.513 . . . . 73.21 111.529 -173.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -61.29 106.55 0.64 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.839 0.856 . . . . 70.34 109.913 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.32 -11.6 60.31 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.458 1.103 . . . . 63.41 113.133 -164.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -62.08 -13.73 29.38 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 113.958 1.095 . . . . 54.25 113.958 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.655 ' HB2' ' HE1' ' A' ' 29' ' ' PHE . 66.1 m -159.74 81.41 2.45 Favored Pre-proline 0 N--CA 1.475 0.821 0 N-CA-C 107.085 -1.45 . . . . 74.45 107.085 172.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -77.2 148.16 26.91 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.503 2.136 . . . . 74.33 111.954 -176.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.7 tt -73.71 133.99 79.16 Favored Pre-proline 0 CA--C 1.553 1.082 0 N-CA-C 108.205 -1.035 . . . . 52.14 108.205 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -48.42 139.31 22.83 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 123.472 2.782 . . . . 71.43 112.327 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -51.4 -32.61 43.1 Favored 'Trans proline' 0 C--N 1.382 2.305 0 C-N-CA 124.05 3.167 . . . . 65.05 114.332 -170.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.57 -44.42 78.25 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.287 0.565 . . . . 62.22 111.034 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -81.95 -18.73 42.51 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.454 0.702 . . . . 72.13 110.539 -175.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -57.9 -46.9 84.22 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.683 0.793 . . . . 64.55 110.676 170.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.93 -41.97 70.54 Favored Glycine 0 C--N 1.344 1.019 0 N-CA-C 111.461 -0.656 . . . . 72.4 111.461 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.76 2.43 14.39 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.656 0.782 . . . . 61.31 112.817 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.8 99.65 0.49 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 121.36 0.6 . . . . 72.24 110.102 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -92.26 -29.19 16.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.49 1.116 . . . . 74.32 109.3 172.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.46 63.48 0.38 Allowed Glycine 0 C--N 1.343 0.948 0 N-CA-C 110.059 -1.217 . . . . 53.03 110.059 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 81.88 0.18 Allowed 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 122.408 1.099 . . . . 73.14 111.02 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -175.24 152.56 1.43 Allowed 'General case' 0 C--O 1.245 0.843 0 CA-C-N 113.761 -1.563 . . . . 75.44 109.453 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.1 t80 168.2 112.14 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.739 1.616 . . . . 70.45 108.41 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -126.3 129.57 49.13 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.917 -0.772 . . . . 73.51 108.917 160.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -71.31 169.7 14.67 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.384 -0.599 . . . . 75.14 109.384 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' A' ' 19' ' ' ILE . 10.6 mm -84.11 123.4 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-O 119.23 -0.414 . . . . 70.23 109.928 -174.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -134.63 118.85 17.64 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 109.552 -0.536 . . . . 71.35 109.552 173.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 59' ' ' ARG . . . -80.16 -15.92 56.0 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.938 0.895 . . . . 43.23 113.256 -176.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.0 t -81.98 -19.39 40.65 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 122.335 -0.228 . . . . 75.32 111.246 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -85.26 7.83 20.72 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.945 0.721 . . . . 72.24 112.945 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.498 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 37.2 ptt180 -104.09 99.59 9.33 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.68 -0.859 . . . . 74.53 108.68 169.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.4 m -100.31 155.09 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 122.048 -0.407 . . . . 55.01 110.12 -175.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.76 118.56 31.58 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.145 -1.058 . . . . 70.33 108.145 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.571 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . . . -105.69 135.1 47.72 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.09 0.556 . . . . 52.45 110.268 -175.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 145' ' ' ASP . 50.7 ttp180 -73.33 120.03 18.39 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.828 -0.805 . . . . 73.44 108.828 -176.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -88.46 121.73 31.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.974 0.909 . . . . 72.44 109.924 -172.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -118.58 105.89 45.24 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.789 0.835 . . . . 63.5 108.984 172.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -64.59 148.4 90.43 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 122.144 1.896 . . . . 72.43 110.871 176.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.23 110.12 2.1 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.036 -0.727 . . . . 74.44 109.036 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -52.6 -32.03 39.38 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.533 1.133 . . . . 64.24 112.012 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -149.48 97.32 3.54 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 106.979 -1.489 . . . . 63.42 106.979 166.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.74 128.49 24.63 Favored 'Trans proline' 0 C--N 1.373 1.817 0 C-N-CA 122.669 2.246 . . . . 70.32 111.934 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -130.26 156.94 43.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.369 1.068 . . . . 63.13 109.356 -177.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.46 141.36 28.6 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.12 0.568 . . . . 72.31 110.772 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 33.4 m -136.15 158.97 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.747 1.219 . . . . 63.34 109.327 -174.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -106.15 112.47 25.52 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.077 -0.712 . . . . 73.34 109.077 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -95.48 123.77 39.18 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 107.355 -1.35 . . . . 54.05 107.355 172.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.27 151.71 39.8 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.518 -0.549 . . . . 75.35 109.518 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.4 p -123.5 168.2 12.9 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 118.583 0.629 . . . . 74.11 110.971 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.3 p -86.94 -33.56 19.63 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.887 -1.051 . . . . 73.34 110.524 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -75.69 -31.79 59.85 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.654 0.782 . . . . 71.43 111.805 -173.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.44 -122.83 1.09 Allowed Glycine 0 CA--C 1.532 1.148 0 CA-C-O 118.659 -1.078 . . . . 70.42 112.683 -174.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -62.74 152.6 77.45 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 123.533 2.822 . . . . 71.32 112.795 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -67.14 145.7 73.91 Favored 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 122.712 2.275 . . . . 74.1 113.071 -176.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.25 117.31 29.53 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.25 1.02 . . . . 51.41 109.633 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 44.6 mt-10 -81.02 120.16 24.43 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.173 0.589 . . . . 73.41 110.858 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.545 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 41.1 m-85 -122.5 146.68 47.17 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.076 0.95 . . . . 75.2 108.869 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.1 m -89.19 137.53 32.23 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 108.903 -0.777 . . . . 61.04 108.903 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -73.01 112.03 8.66 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.856 -0.794 . . . . 75.44 108.856 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.58 -52.82 6.8 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.409 0.684 . . . . 75.45 110.639 177.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.48 177.12 11.72 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.33 -0.85 . . . . 73.12 110.743 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.3 t -135.43 118.8 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 N-CA-C 107.536 -1.283 . . . . 74.43 107.536 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.43 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.0 mm? -95.7 119.92 35.06 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.25 0.62 . . . . 52.3 111.158 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.14 125.86 7.06 Favored Glycine 0 C--N 1.342 0.915 0 N-CA-C 110.632 -0.987 . . . . 72.15 110.632 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.571 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 37.1 p90 -161.23 154.78 21.79 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 117.706 0.753 . . . . 52.33 110.847 -171.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -81.16 152.84 27.55 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.939 -0.393 . . . . 75.11 109.939 173.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.519 HD23 HG11 ' A' ' 176' ' ' VAL . 28.6 tp -169.68 134.39 1.38 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 108.48 -0.933 . . . . 75.14 108.48 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.63 -101.49 1.79 Allowed Glycine 0 C--N 1.35 1.338 0 N-CA-C 110.285 -1.126 . . . . 74.14 110.285 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -129.15 -2.85 5.07 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.357 0.663 . . . . 74.35 110.187 169.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.2 m -129.35 167.59 17.53 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.433 0.635 . . . . 63.15 112.676 -166.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -86.35 139.66 30.77 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.164 -1.05 . . . . 73.41 108.164 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -141.06 140.71 34.28 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.128 0.971 . . . . 73.15 109.375 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 31.6 m -135.62 119.28 17.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.448 0.299 . . . . 74.31 110.708 -175.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -103.89 142.85 33.69 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.524 1.13 . . . . 75.11 109.381 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.9 m -88.14 123.31 32.67 Favored 'General case' 0 C--O 1.243 0.717 0 N-CA-C 109.043 -0.725 . . . . 61.25 109.043 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.663 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -97.3 122.86 40.81 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.303 0.641 . . . . 74.22 109.45 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.545 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 51.0 m-85 -101.59 170.54 8.12 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.696 0.622 . . . . 52.44 110.338 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.664 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 36.7 ttt180 -126.03 131.16 52.24 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.576 -0.898 . . . . 62.43 108.576 -173.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 110' ' ' GLU . 1.8 m -111.8 115.25 49.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 107.748 -1.204 . . . . 64.31 107.748 173.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.24 136.54 56.74 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.033 -0.985 . . . . 74.45 111.213 -170.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 100.36 -34.38 5.59 Favored Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.221 -0.9 . . . . 70.44 111.726 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.446 ' HB2' HG23 ' A' ' 107' ' ' VAL . 10.3 mm-40 -87.79 136.49 32.93 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 123.348 0.659 . . . . 73.32 110.011 176.303 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.4 m -79.62 -18.1 52.31 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.819 -0.628 . . . . 71.21 110.678 170.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 m -90.57 135.13 33.9 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 123.339 0.655 . . . . 62.3 110.216 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.4 mt -81.68 149.63 28.42 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.808 0.843 . . . . 65.43 110.039 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.3 111.21 22.1 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.592 -0.892 . . . . 55.54 108.592 -177.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 104' ' ' ALA . 20.0 m -107.68 116.56 57.33 Favored Pre-proline 0 N--CA 1.48 1.059 0 N-CA-C 108.877 -0.786 . . . . 64.51 108.877 175.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -84.22 148.33 11.7 Favored 'Trans proline' 0 C--N 1.368 1.585 0 C-N-CA 122.306 2.004 . . . . 72.31 109.66 163.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -164.7 163.44 21.54 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.142 0.496 . . . . 74.43 110.676 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.4 p -130.57 154.19 48.1 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.966 -1.015 . . . . 73.45 108.877 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -114.0 -172.25 2.05 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 108.08 -1.082 . . . . 65.24 108.08 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -73.33 -28.36 62.03 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.856 -0.794 . . . . 72.43 108.856 160.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.454 HG22 ' HB3' ' A' ' 126' ' ' ARG . 2.2 m -65.9 -38.32 88.4 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.441 1.496 . . . . 72.21 111.332 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 46.9 p -69.51 -45.32 69.16 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.202 0.601 . . . . 54.41 110.972 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.99 -19.42 62.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.7 0.8 . . . . 70.35 111.524 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -76.15 -18.65 59.02 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.851 0.86 . . . . 70.02 110.427 171.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.59 -0.03 86.54 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 115.812 -0.631 . . . . 22.15 113.608 -175.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.454 ' HB3' HG22 ' A' ' 121' ' ' THR . 14.3 tpp180 -72.34 -39.67 67.98 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.792 0.837 . . . . 72.24 109.849 -176.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.8 p -118.44 -177.57 3.32 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.007 -0.997 . . . . 71.14 109.712 171.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -62.61 99.74 0.16 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.402 1.081 . . . . 64.44 111.729 -166.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.74 -52.07 66.42 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.293 1.037 . . . . 72.52 112.365 -173.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -77.42 6.97 5.97 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 116.078 -0.51 . . . . 74.35 112.195 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 134.07 143.36 4.88 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 112.067 -0.413 . . . . 41.42 112.067 167.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 -126.59 140.94 52.05 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.402 -1.333 . . . . 73.14 107.402 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.28 172.51 6.75 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.082 0.467 . . . . 63.55 111.601 -175.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.7 tt -153.17 138.47 17.51 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 106.764 -1.569 . . . . 71.31 106.764 170.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.5 110.95 23.37 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.457 -0.942 . . . . 73.35 108.457 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.7 122.82 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-N 115.154 -0.93 . . . . 62.31 108.872 -171.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -87.6 122.35 70.54 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 108.525 -0.917 . . . . 65.02 108.525 178.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.82 -28.28 86.86 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 122.625 2.217 . . . . 64.52 113.095 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 53.16 30.41 9.74 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 114.444 1.275 . . . . 73.2 114.444 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 58.98 27.8 62.76 Favored Glycine 0 N--CA 1.477 1.412 0 N-CA-C 114.117 0.407 . . . . 42.42 114.117 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.12 161.53 28.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.597 0.759 . . . . 65.22 110.928 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -140.13 179.68 6.49 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.758 -0.656 . . . . 63.1 109.357 -174.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -58.42 104.71 0.52 Allowed Glycine 0 C--N 1.353 1.514 0 C-N-CA 123.602 0.62 . . . . 71.04 113.352 -174.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.2 0.85 33.45 Favored Glycine 0 N--CA 1.467 0.751 0 CA-C-O 119.344 -0.698 . . . . 73.0 114.009 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 63' ' ' ARG . 21.7 m-20 -82.86 -169.16 2.36 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 117.665 0.733 . . . . 64.11 109.597 174.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -138.97 155.35 48.08 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 120.91 0.386 . . . . 74.31 111.577 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 21.9 m -137.17 177.09 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 124.463 1.105 . . . . 73.42 109.653 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.59 130.3 34.61 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.076 0.55 . . . . 71.44 111.684 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.0 mt -126.22 86.25 2.5 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.414 1.086 . . . . 74.31 108.422 166.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.498 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 25.4 p-10 -91.73 97.76 11.21 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.114 -0.948 . . . . 74.34 109.674 176.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -73.03 -26.31 61.26 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.098 -0.956 . . . . 64.32 111.634 -172.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.409 ' HB3' ' HB1' ' A' ' 182' ' ' ALA . 10.2 p-10 -68.48 -17.6 64.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.001 0.521 . . . . 61.34 111.327 174.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 19' ' ' ILE . 2.2 mm? -110.56 18.28 19.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.443 0.697 . . . . 65.24 111.722 174.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.1 149.72 27.11 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.525 0.679 . . . . 72.34 111.2 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -97.68 177.03 5.62 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.727 -1.124 . . . . 72.35 108.046 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -152.81 159.0 32.96 Favored Pre-proline 0 N--CA 1.471 0.582 0 O-C-N 121.911 -0.493 . . . . 71.44 110.968 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -80.79 124.46 5.09 Favored 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 121.315 1.343 . . . . 54.43 109.377 163.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -81.62 0.35 38.85 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.349 0.659 . . . . 72.25 111.651 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' CYS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 42.1 t -56.23 -30.44 62.36 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.351 -0.841 . . . . 72.04 110.813 159.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.65 -27.23 66.69 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.866 0.867 . . . . 64.12 111.712 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -81.19 11.17 4.44 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.716 0.807 . . . . 73.14 111.68 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 104.24 6.72 41.68 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-O 119.395 -0.669 . . . . 72.22 114.423 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -81.0 159.25 41.46 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 117.612 0.706 . . . . 65.01 112.206 174.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 32.1 p -105.66 69.89 0.85 Allowed 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.276 0.56 . . . . 74.42 110.791 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -129.45 158.31 39.54 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.593 0.757 . . . . 75.02 111.289 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 42.9 p -74.7 115.55 14.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.237 -0.892 . . . . 71.21 112.098 -169.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 159' ' ' CYS . 33.8 m -100.63 113.81 26.98 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 107.616 -1.253 . . . . 34.42 107.616 174.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -72.68 100.25 2.77 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.944 -0.762 . . . . 63.41 108.944 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.59 121.31 47.85 Favored Pre-proline 0 CA--C 1.547 0.839 0 O-C-N 124.687 1.242 . . . . 74.1 110.274 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.09 138.31 43.35 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 122.312 2.008 . . . . 65.3 111.747 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.66 179.73 5.68 Favored 'Trans proline' 0 C--N 1.37 1.699 0 C-N-CA 122.566 2.177 . . . . 61.34 112.648 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -56.65 -27.93 59.56 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.236 1.014 . . . . 61.52 113.324 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -71.35 -26.22 62.72 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.776 0.322 . . . . 62.23 111.192 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -98.98 1.01 45.11 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.409 0.683 . . . . 71.32 110.54 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -85.84 116.75 24.28 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 108.824 -0.806 . . . . 62.41 108.824 170.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.519 HG11 HD23 ' A' ' 95' ' ' LEU . 89.4 t -94.69 115.68 65.57 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 124.515 1.126 . . . . 71.32 108.916 173.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -73.57 66.27 4.66 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.785 2.323 . . . . 72.5 111.472 166.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.13 139.56 19.53 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 124.793 1.237 . . . . 35.54 107.883 174.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.15 103.93 12.11 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.139 -0.689 . . . . 61.21 109.139 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.9 mp -93.81 98.23 7.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 106.34 -1.726 . . . . 74.52 106.34 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 36.6 p -84.77 59.77 5.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 122.569 1.176 . . . . 62.25 109.271 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' ' 152' ' ' ASN . . . -162.31 120.72 2.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 113.284 -1.78 . . . . 61.42 106.527 -177.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 173.41 -151.1 12.88 Favored Glycine 0 CA--C 1.498 -1.004 0 N-CA-C 109.877 -1.289 . . . . 61.35 109.877 -171.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -113.45 140.33 48.18 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 107.412 -1.329 . . . . 71.41 107.412 151.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -83.88 153.99 23.69 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 109.883 -0.414 . . . . 73.44 109.883 -171.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 24.9 t -123.95 137.67 56.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 108.323 -0.991 . . . . 74.22 108.323 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.23 147.81 25.93 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.485 0.714 . . . . 74.4 110.175 -172.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -57.39 -19.87 25.96 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 124.231 0.957 . . . . 71.23 111.957 164.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.5 -34.0 74.74 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.519 1.128 . . . . 74.31 111.275 173.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.76 -49.94 5.61 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.417 0.687 . . . . 74.23 109.477 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 . . . . . 0 C--O 1.251 1.143 0 C-N-CA 123.682 0.793 . . . . 75.51 111.081 -177.588 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.413 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.6 mpp? . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 107.79 -1.189 . . . . 54.22 107.79 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.45 ' H ' ' HD2' ' A' ' 3' ' ' PRO . 49.8 m -157.0 -43.4 0.0 OUTLIER Pre-proline 0 CA--C 1.556 1.206 0 C-N-CA 125.629 1.572 . . . . 61.4 108.324 176.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.45 ' HD2' ' H ' ' A' ' 2' ' ' SER . 90.7 Cg_endo -80.27 159.25 23.15 Favored 'Trans proline' 0 C--N 1.4 3.254 0 C-N-CA 121.4 1.4 . . . . 64.21 111.104 160.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.511 HG22 ' HG ' ' A' ' 6' ' ' LEU . 13.4 mt -73.75 128.68 86.44 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 123.259 0.624 . . . . 72.1 109.901 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -65.76 128.24 19.52 Favored 'Trans proline' 0 C--N 1.371 1.713 0 C-N-CA 122.784 2.323 . . . . 72.44 110.787 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.511 ' HG ' HG22 ' A' ' 4' ' ' ILE . 24.9 mt -159.52 -53.72 0.01 OUTLIER Pre-proline 0 N--CA 1.483 1.192 0 C-N-CA 125.054 1.342 . . . . 52.34 109.935 -166.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.453 ' HD2' ' H ' ' A' ' 6' ' ' LEU . 66.9 Cg_endo -80.08 19.57 1.02 Allowed 'Trans proline' 0 C--N 1.396 3.055 0 C-N-CA 122.221 1.948 . . . . 71.34 112.459 178.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.33 -28.52 39.68 Favored 'Isoleucine or valine' 0 C--N 1.363 1.159 0 C-N-CA 123.981 0.912 . . . . 72.45 109.455 169.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -91.09 98.57 11.84 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 124.892 1.277 . . . . 61.13 109.067 168.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.55 156.87 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.582 1.153 . . . . 75.53 113.781 167.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.0 t -50.59 141.46 12.5 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 114.768 -1.105 . . . . 72.24 110.286 172.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -47.28 -36.63 9.42 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 114.493 1.294 . . . . 73.02 114.493 -165.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.89 -53.9 49.48 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.668 0.787 . . . . 64.04 111.395 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.39 -34.12 72.18 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.252 1.021 . . . . 72.21 111.138 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.418 ' O ' HG13 ' A' ' 19' ' ' ILE . 60.2 t90 -65.99 -45.25 82.31 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.78 1.232 . . . . 64.11 109.455 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HA ' HD12 ' A' ' 19' ' ' ILE . 23.5 ttm180 -63.76 -39.83 95.23 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.404 1.081 . . . . 71.33 110.565 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.69 88.47 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.511 0.724 . . . . 71.03 111.431 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -63.18 -45.57 91.2 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 122.796 0.439 . . . . 74.33 110.22 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 16' ' ' ARG . 82.9 mt -57.03 -47.26 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 O-C-N 123.88 0.737 . . . . 64.44 110.594 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.45 -44.26 84.6 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 124.575 1.172 . . . . 75.11 110.555 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.6 76.13 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.55 -0.75 . . . . 71.21 111.499 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -67.19 -46.61 73.42 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.03 0.932 . . . . 64.11 111.039 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 28.3 ptt180 -74.14 -32.26 63.07 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.029 -0.532 . . . . 74.15 110.698 -177.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.85 -40.88 79.11 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.932 0.493 . . . . 55.54 110.804 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.6 -55.85 29.78 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.912 -1.04 . . . . 71.45 110.372 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.617 ' HE2' ' HB3' ' A' ' 155' ' ' TYR . 47.6 mttp -68.34 -23.7 64.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.728 -0.669 . . . . 62.25 111.742 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.484 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -63.52 -54.76 31.24 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.405 0.621 . . . . 73.2 109.484 173.497 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -83.35 -13.25 55.43 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.22 -0.9 . . . . 64.44 111.412 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -55.34 -60.05 3.95 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.727 0.811 . . . . 74.12 111.668 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.711 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -75.0 -24.81 58.48 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.612 -0.267 . . . . 71.54 110.982 -178.496 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.74 -44.77 55.31 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.752 0.421 . . . . 64.04 111.562 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.4 p -119.06 -56.87 2.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.334 0.653 . . . . 42.33 111.455 -170.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -56.29 133.59 52.77 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.253 0.621 . . . . 64.31 112.462 -175.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.25 -15.61 61.92 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.595 1.158 . . . . 52.24 113.118 -168.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -61.54 -37.05 82.36 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.05 0.54 . . . . 72.42 112.278 -172.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -155.65 78.35 4.52 Favored Pre-proline 0 N--CA 1.48 1.064 0 C-N-CA 123.667 0.787 . . . . 63.53 109.057 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.63 128.21 14.92 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 122.376 2.051 . . . . 75.34 111.618 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.711 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 18.5 tt -69.82 136.01 87.72 Favored Pre-proline 0 CA--C 1.552 1.044 0 N-CA-C 108.384 -0.969 . . . . 60.14 108.384 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -35.62 134.44 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 124.405 3.403 . . . . 54.53 115.174 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -54.69 -25.1 40.4 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 124.14 3.227 . . . . 74.31 114.546 -171.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.38 76.91 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.05 0.54 . . . . 53.44 110.839 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -76.32 -37.44 57.38 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.726 0.81 . . . . 74.21 110.147 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HB2' HG23 ' A' ' 38' ' ' ILE . 37.6 ttp180 -67.33 -35.14 78.79 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.981 0.912 . . . . 63.32 111.395 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.95 -44.13 47.27 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.727 -0.549 . . . . 61.2 111.727 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.82 21.2 3.15 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.973 0.909 . . . . 74.31 112.435 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.98 108.63 2.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.823 0.849 . . . . 62.05 111.687 -175.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -94.84 -38.51 10.71 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.991 0.916 . . . . 70.53 109.799 170.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.92 168.97 11.85 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.103 -0.953 . . . . 73.23 111.602 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 27' ' ' ASP . 1.2 pt? -135.99 80.5 1.83 Allowed 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 122.202 1.001 . . . . 61.1 109.406 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.51 123.8 2.22 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.933 -1.031 . . . . 73.41 109.27 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -131.24 -158.08 0.87 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.25 1.02 . . . . 61.22 108.545 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -55.53 111.98 1.02 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 109.123 -0.695 . . . . 72.15 109.123 176.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 152' ' ' ASN . 21.8 p-10 -122.56 -51.78 1.94 Allowed 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.056 -1.028 . . . . 73.31 110.564 -171.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.43 HG12 HD13 ' A' ' 19' ' ' ILE . 3.9 mt -80.76 105.81 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 121.467 0.651 . . . . 53.43 110.776 -175.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -136.28 114.19 11.27 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.202 -1.363 . . . . 70.22 109.544 166.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.95 -10.55 58.98 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.448 0.907 . . . . 54.25 113.448 -171.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 m -75.03 -27.92 60.26 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 110.017 -0.364 . . . . 63.13 110.017 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.498 ' HB2' ' HB3' ' A' ' 152' ' ' ASN . 67.0 m-85 -90.61 13.17 16.68 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 113.091 0.774 . . . . 75.34 113.091 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -112.43 115.86 29.36 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.521 -0.918 . . . . 74.13 108.521 173.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.9 m -115.49 171.07 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.372 0.669 . . . . 62.12 110.369 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.27 125.66 53.35 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.093 -1.077 . . . . 71.13 108.093 170.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -110.5 146.32 36.18 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.731 0.813 . . . . 72.35 110.248 -175.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -80.11 120.42 24.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.199 -0.667 . . . . 72.44 109.199 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -82.11 122.26 27.63 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.899 0.88 . . . . 74.3 109.811 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -124.07 100.44 36.46 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 124.288 1.035 . . . . 75.3 108.46 173.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -69.66 148.0 64.73 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.172 1.915 . . . . 54.25 111.278 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.9 99.82 3.92 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.901 -1.148 . . . . 63.53 107.901 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -60.61 -23.35 64.65 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.108 0.963 . . . . 71.42 109.627 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -123.65 90.85 50.27 Favored Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 108.533 -0.914 . . . . 75.41 108.533 167.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.45 131.86 19.63 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 122.058 1.838 . . . . 53.3 111.443 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -133.61 147.2 51.47 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.03 0.532 . . . . 74.44 111.112 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.17 126.52 31.59 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.151 0.98 . . . . 71.04 110.077 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.6 m -122.22 154.37 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.814 1.246 . . . . 75.4 108.963 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 37.5 mt-10 -111.4 112.67 24.58 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.192 0.997 . . . . 74.43 108.933 -178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -99.36 141.02 32.67 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.522 -0.918 . . . . 74.2 108.522 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.81 149.89 48.53 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.079 0.552 . . . . 62.41 110.626 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.0 p -138.7 162.44 34.68 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.558 0.343 . . . . 73.33 110.304 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.2 p -95.62 -34.42 12.0 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.424 0.69 . . . . 74.44 110.912 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.758 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 4.1 tmt_? -75.24 -31.45 60.82 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.767 0.427 . . . . 74.53 111.922 -175.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.93 -138.89 2.7 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 120.338 -0.934 . . . . 71.13 114.379 -175.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -62.93 158.07 45.12 Favored 'Trans proline' 0 C--N 1.381 2.248 0 C-N-CA 123.559 2.839 . . . . 54.2 112.952 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HB2' ' HB3' ' A' ' 74' ' ' GLU . 23.3 Cg_endo -59.08 137.88 82.06 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.381 2.054 . . . . 74.51 111.634 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 124.75 36.5 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 123.886 0.874 . . . . 74.2 109.695 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 40.2 mt-10 -84.53 123.84 30.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.929 0.891 . . . . 53.44 110.246 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -139.5 147.61 41.52 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.272 1.029 . . . . 73.41 108.43 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.7 m -99.03 140.42 33.2 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.63 -0.508 . . . . 51.53 109.63 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.9 mtm105 -75.18 108.73 8.13 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.467 -0.938 . . . . 73.32 108.467 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.462 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -88.88 -41.27 12.55 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.527 0.731 . . . . 75.24 110.345 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . . . -157.59 174.78 14.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.61 -0.723 . . . . 71.34 110.809 -176.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.4 t -138.83 125.09 24.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 C-N-CA 125.485 1.514 . . . . 72.53 107.483 171.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -96.04 123.56 39.69 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.513 1.125 . . . . 54.22 109.948 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -107.73 117.07 5.07 Favored Glycine 0 C--N 1.341 0.806 0 N-CA-C 109.994 -1.242 . . . . 44.0 109.994 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.54 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 38.5 p90 -147.05 149.56 33.33 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.205 0.602 . . . . 70.33 110.517 -171.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 3.4 m-20 -81.93 138.03 35.06 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.211 0.604 . . . . 51.31 109.696 173.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 180' ' ' ILE . 29.2 tp -158.11 124.7 4.82 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 108.708 -0.849 . . . . 74.44 108.708 178.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.9 -102.2 1.2 Allowed Glycine 0 C--N 1.351 1.412 0 N-CA-C 111.064 -0.814 . . . . 63.32 111.064 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -113.56 -14.31 12.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.335 1.054 . . . . 74.43 111.246 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.537 ' HB2' ' HG3' ' A' ' 177' ' ' PRO . 44.2 m -129.55 135.36 48.49 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.358 0.599 . . . . 55.21 112.439 -162.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 9.0 p80 -83.79 111.69 19.42 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 107.54 -1.281 . . . . 72.41 107.54 167.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -125.9 162.43 25.2 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 124.682 1.193 . . . . 62.21 108.323 -167.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.4 p -105.59 160.02 15.5 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.907 0.483 . . . . 65.53 110.698 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 117' ' ' PHE . 14.5 tp -147.04 119.18 8.25 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.96 -0.564 . . . . 62.53 109.561 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.544 ' H ' ' ND2' ' A' ' 174' ' ' ASN . 8.6 m -81.62 123.84 29.03 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 110.026 -0.361 . . . . 73.1 110.026 -172.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . . . -94.39 118.44 31.63 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.199 -1.037 . . . . 65.34 108.199 176.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -92.36 158.81 15.88 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.612 0.72 . . . . 74.33 111.774 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.462 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 31.3 ttt-85 -97.64 120.45 38.04 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.408 -1.269 . . . . 74.44 109.379 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -114.75 114.62 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.233 1.013 . . . . 42.42 109.475 171.266 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.98 142.79 50.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.263 -0.881 . . . . 74.42 110.904 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.78 -37.66 3.34 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 115.643 -0.708 . . . . 62.05 111.682 -169.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.487 ' HB2' HG23 ' A' ' 107' ' ' VAL . 1.3 mp0 -87.73 126.3 34.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.342 1.057 . . . . 71.44 109.655 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.6 t -75.01 -13.57 60.52 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.202 0.601 . . . . 74.33 110.873 171.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.4 m -88.98 144.47 26.15 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.456 0.702 . . . . 51.11 110.028 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.402 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 74.8 mt -82.85 136.38 34.64 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.635 -0.876 . . . . 63.5 108.635 170.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.26 99.98 11.64 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.42 -1.326 . . . . 55.11 107.42 -176.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.8 t -111.17 103.62 55.14 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 123.462 0.705 . . . . 63.41 109.875 -169.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.503 ' HB2' ' HG3' ' A' ' 170' ' ' PRO . 60.7 Cg_endo -84.2 144.8 10.7 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.869 2.379 . . . . 70.13 112.344 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.598 ' HB3' HD11 ' A' ' 102' ' ' LEU . 47.8 p90 -149.84 153.9 37.52 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.633 0.73 . . . . 72.51 112.481 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 p -127.16 148.2 50.18 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 113.607 -1.633 . . . . 74.32 108.459 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.459 ' HB3' HD13 ' A' ' 180' ' ' ILE . 1.0 OUTLIER -123.7 -172.74 2.59 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.583 1.153 . . . . 62.23 110.568 -174.061 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.16 -27.06 42.68 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.02 0.528 . . . . 75.4 111.449 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.489 HG21 ' HB ' ' A' ' 181' ' ' THR . 0.0 OUTLIER -71.88 -13.25 61.61 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.197 0.599 . . . . 71.44 111.751 -178.082 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.503 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 62.8 p -60.3 -40.01 88.98 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.572 0.749 . . . . 75.14 111.403 171.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.8 -29.48 70.75 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.434 1.094 . . . . 43.13 111.773 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -76.37 -24.22 54.15 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.601 0.76 . . . . 63.31 110.258 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.669 ' HA3' ' HB2' ' A' ' 188' ' ' ALA . . . 75.55 -5.11 39.13 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-N 115.749 -0.66 . . . . 72.54 114.1 -176.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -77.55 -15.64 59.13 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.17 0.588 . . . . 73.54 111.122 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 128' ' ' TYR . 1.2 m -125.39 -176.8 3.69 Favored 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 107.664 -1.236 . . . . 53.4 107.664 173.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.447 ' H ' HG22 ' A' ' 127' ' ' THR . 14.9 m-85 -74.04 89.56 1.95 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.944 0.898 . . . . 73.13 112.582 -160.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.503 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 12.6 pt-20 -70.73 -22.16 62.46 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.733 0.413 . . . . 53.15 111.499 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -77.15 -18.81 57.58 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.142 0.577 . . . . 74.31 110.262 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 109.58 176.37 21.21 Favored Glycine 0 C--N 1.345 1.042 0 CA-C-N 115.528 -0.76 . . . . 63.4 112.683 173.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 0.6 OUTLIER -124.61 163.07 22.75 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.665 1.186 . . . . 74.14 109.667 177.504 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.462 ' OH ' ' HB3' ' A' ' 168' ' ' ALA . 6.0 m-85 -118.92 166.51 12.75 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.631 -1.168 . . . . 75.42 108.757 164.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.53 134.51 22.59 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 107.853 -1.165 . . . . 70.22 107.853 174.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -96.78 100.79 12.32 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 108.09 -1.078 . . . . 75.32 108.09 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.01 119.9 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 115.624 -0.716 . . . . 30.32 109.083 -174.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -97.49 119.99 61.67 Favored Pre-proline 0 N--CA 1.472 0.647 0 N-CA-C 108.062 -1.088 . . . . 71.41 108.062 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.402 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 49.3 Cg_endo -67.89 -24.93 39.39 Favored 'Trans proline' 0 C--N 1.37 1.658 0 C-N-CA 122.674 2.249 . . . . 74.43 113.008 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.53 -80.53 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.647 1.179 . . . . 71.12 110.439 -167.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -155.55 44.57 0.54 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.65 -0.98 . . . . 62.52 110.65 171.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -79.75 142.2 35.62 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.25 0.62 . . . . 51.53 109.756 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -131.54 -179.89 5.64 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 108.008 -1.108 . . . . 72.22 108.008 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -47.35 99.46 0.02 OUTLIER Glycine 0 C--N 1.355 1.611 0 C-N-CA 124.267 0.937 . . . . 72.13 114.613 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.69 -1.16 27.54 Favored Glycine 0 N--CA 1.47 0.928 0 CA-C-O 119.292 -0.727 . . . . 71.31 114.848 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -81.63 -172.28 3.77 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 118.015 0.907 . . . . 61.21 108.906 173.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.38 155.45 48.51 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.301 0.572 . . . . 54.44 112.378 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 13.4 m -141.19 152.77 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.317 1.447 . . . . 75.45 108.726 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.37 116.5 15.11 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.936 0.495 . . . . 73.53 111.83 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.7 mt -99.76 93.81 6.01 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.646 0.778 . . . . 73.05 109.964 170.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.457 ' HB3' HD23 ' A' ' 153' ' ' LEU . 30.9 m-20 -93.08 96.35 10.0 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.749 -0.659 . . . . 72.41 109.39 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.496 ' HB3' HG21 ' A' ' 180' ' ' ILE . 12.8 m-85 -72.61 -32.59 66.06 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.229 0.538 . . . . 65.32 111.321 -174.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.498 ' HB3' ' HB2' ' A' ' 58' ' ' PHE . 5.3 p30 -74.54 -13.1 60.63 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.256 -0.884 . . . . 74.41 111.699 -175.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.457 HD23 ' HB3' ' A' ' 150' ' ' ASP . 1.3 mm? -109.25 20.52 18.21 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.586 0.754 . . . . 75.12 110.697 172.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.15 140.52 52.69 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.821 0.701 . . . . 62.05 110.975 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.617 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 98.3 m-85 -97.7 157.4 16.07 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 115.018 -0.992 . . . . 74.43 110.369 -168.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.405 ' OD1' ' HD3' ' A' ' 26' ' ' LYS . 6.6 p30 -100.56 123.43 46.1 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 114.788 -1.096 . . . . 62.13 113.381 -162.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.89 126.08 11.61 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 121.817 1.678 . . . . 62.43 109.882 160.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -85.39 -9.7 57.23 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.827 0.851 . . . . 74.31 112.592 -168.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' CYS . . . . . 0.758 ' SG ' ' HB2' ' A' ' 79' ' ' ARG . 34.7 t -55.31 -46.06 76.3 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.353 1.061 . . . . 52.31 111.785 178.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.81 -13.16 62.14 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.384 -0.825 . . . . 61.42 111.823 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -92.4 10.83 28.31 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.343 1.057 . . . . 74.32 110.054 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 124.87 -82.5 0.35 Allowed Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.824 -0.625 . . . . 72.02 112.026 170.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -135.58 99.29 0.31 Allowed Glycine 0 C--N 1.343 0.925 0 O-C-N 123.751 0.324 . . . . 43.14 112.562 -169.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 65.1 m -157.28 -159.62 0.87 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.599 1.159 . . . . 73.52 108.674 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.438 ' O ' ' HB2' ' A' ' 159' ' ' CYS . 97.1 m-85 -69.98 157.63 37.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.206 0.603 . . . . 63.24 109.723 170.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 77.7 p -67.15 151.18 48.04 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.992 0.917 . . . . 54.13 112.301 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' CYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 159' ' ' CYS . 25.4 p -104.33 116.34 31.98 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.428 -0.953 . . . . 74.32 108.428 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.462 ' HB3' ' OH ' ' A' ' 133' ' ' TYR . . . -70.83 100.5 1.93 Allowed 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.32 -0.622 . . . . 74.34 109.32 177.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 170' ' ' PRO . 87.4 mt -57.58 115.4 10.76 Favored Pre-proline 0 C--O 1.246 0.899 0 C-N-CA 124.495 1.118 . . . . 75.15 109.463 176.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.503 ' HG3' ' HB2' ' A' ' 116' ' ' PRO . 34.7 Cg_exo -60.92 131.39 36.96 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.633 2.222 . . . . 73.31 111.856 -174.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -53.57 167.51 0.93 Allowed 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 123.517 2.811 . . . . 74.22 113.659 176.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -60.46 -28.4 68.28 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.65 -0.705 . . . . 72.24 111.32 173.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.09 -14.82 59.75 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.752 0.821 . . . . 74.31 111.429 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.544 ' ND2' ' H ' ' A' ' 103' ' ' THR . 10.9 m120 -107.01 13.97 26.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.849 0.86 . . . . 53.14 110.762 173.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -95.59 105.93 17.97 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.285 -1.006 . . . . 73.35 108.285 170.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 31.1 m -77.52 150.87 79.95 Favored Pre-proline 0 CA--C 1.556 1.182 0 C-N-CA 123.262 0.625 . . . . 71.01 109.89 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.537 ' HG3' ' HB2' ' A' ' 98' ' ' SER . 28.2 Cg_endo -86.48 22.77 0.89 Allowed 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 123.108 2.539 . . . . 72.55 113.444 -174.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -133.89 157.15 46.71 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.315 0.646 . . . . 42.13 109.859 -177.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 121' ' ' THR . . . -88.38 123.03 32.54 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.013 0.925 . . . . 63.5 109.931 178.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' ILE . . . . . 0.572 HD11 HD21 ' A' ' 95' ' ' LEU . 2.5 mp -109.93 92.59 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 107.057 -1.46 . . . . 73.41 107.057 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' THR . . . . . 0.489 ' HB ' HG21 ' A' ' 121' ' ' THR . 2.7 t -103.54 89.08 3.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.374 -0.83 . . . . 74.32 109.752 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -171.83 115.49 0.37 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.192 -1.04 . . . . 51.15 108.192 174.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 168.2 -157.58 29.87 Favored Glycine 0 C--N 1.343 0.943 0 O-C-N 123.703 0.627 . . . . 52.23 111.86 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.74 131.58 51.33 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 107.489 -1.3 . . . . 74.34 107.489 157.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -66.17 150.84 48.15 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.467 0.576 . . . . 71.3 109.957 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 42.8 t -132.75 149.54 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 108.508 -0.923 . . . . 74.24 108.508 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' ASP . . . . . 0.403 ' HB2' HD23 ' A' ' 190' ' ' LEU . 8.8 m-20 -134.28 113.07 11.57 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.118 -0.697 . . . . 74.54 109.118 178.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.669 ' HB2' ' HA3' ' A' ' 125' ' ' GLY . . . -53.75 -28.25 33.4 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.396 1.078 . . . . 71.13 112.481 174.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.81 -42.25 93.06 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.077 0.951 . . . . 64.42 110.296 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 187' ' ' ASP . 3.6 mm? -85.37 -44.34 12.88 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.692 0.797 . . . . 63.35 110.132 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 . . . . . 0 CA--C 1.554 1.11 0 C-N-CA 123.825 0.85 . . . . 75.1 109.724 -178.21 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 110.19 -0.3 . . . . 73.35 110.19 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -110.8 89.37 9.21 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 108.385 -0.968 . . . . 54.03 108.385 174.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -82.36 -177.94 3.74 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 123.489 2.793 . . . . 72.1 111.402 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mt -67.89 119.74 68.89 Favored Pre-proline 0 CA--C 1.543 0.681 0 N-CA-C 108.85 -0.796 . . . . 62.53 108.85 167.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -75.85 124.23 7.94 Favored 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 122.469 2.112 . . . . 72.23 109.819 176.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 173.87 -59.89 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.383 0 C-N-CA 125.021 1.328 . . . . 65.32 107.952 -174.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -79.92 37.17 0.65 Allowed 'Trans proline' 0 C--N 1.402 3.352 0 C-N-CA 122.276 1.984 . . . . 74.35 113.873 -177.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.488 HG11 ' HB2' ' A' ' 139' ' ' ALA . 10.8 m -76.87 -14.64 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-O 121.434 0.635 . . . . 63.43 109.796 162.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 t -101.28 109.7 21.59 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 106.263 -1.754 . . . . 74.11 106.263 161.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.62 178.45 1.65 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.256 0.836 . . . . 75.41 113.256 -172.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.7 t -51.16 145.09 8.27 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 114.608 -1.178 . . . . 52.04 109.202 162.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -49.61 -26.21 3.43 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.533 1.308 . . . . 72.32 114.533 -167.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.27 -61.27 2.22 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.984 0.913 . . . . 62.1 110.406 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 18' ' ' ARG . . . -74.87 -21.62 59.13 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.163 0.985 . . . . 74.42 111.52 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.435 ' NE1' HD11 ' A' ' 19' ' ' ILE . 24.8 t90 -70.8 -57.12 4.96 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.841 0.857 . . . . 74.21 109.848 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -65.86 -31.79 72.93 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.628 0.371 . . . . 61.2 111.207 178.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.0 -49.19 77.69 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.993 0.517 . . . . 75.34 110.657 169.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 5.9 ttt180 -58.03 -46.99 84.43 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 124.611 1.164 . . . . 63.54 110.25 -178.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.435 HD11 ' NE1' ' A' ' 15' ' ' TRP . 54.2 mt -66.78 -52.33 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 115.24 -0.891 . . . . 74.14 111.271 -176.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.92 99.56 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.672 0.608 . . . . 63.13 110.842 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.51 -40.69 63.85 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.124 0.57 . . . . 64.21 112.181 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -78.77 -29.11 44.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.405 0.282 . . . . 75.45 110.513 -177.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.0 tpt85 -76.92 -28.59 55.33 Favored 'General case' 0 C--O 1.21 -0.998 0 N-CA-C 108.923 -0.769 . . . . 74.22 108.923 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.72 80.59 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.901 0.48 . . . . 33.23 110.384 171.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.72 -45.67 93.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.681 0.793 . . . . 61.22 109.731 170.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -76.38 -13.88 60.11 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.217 -0.901 . . . . 73.23 112.612 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -77.93 -42.59 32.57 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.684 0.794 . . . . 74.31 110.425 168.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -82.84 -13.4 56.24 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 122.17 -0.331 . . . . 73.3 110.153 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -53.73 -45.24 70.44 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.996 0.918 . . . . 51.41 112.605 174.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -82.51 -14.38 55.06 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.356 0.502 . . . . 71.13 112.356 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.51 -50.93 4.76 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.272 0.629 . . . . 71.14 112.054 -174.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.9 p -107.96 -58.19 2.01 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.897 0.879 . . . . 50.43 110.581 -172.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -52.44 120.98 6.19 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.23 1.012 . . . . 53.53 111.335 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.38 -11.91 61.21 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.754 1.222 . . . . 45.24 113.062 -168.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -64.6 -24.73 67.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.685 0.794 . . . . 44.52 111.794 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 47.5 t -152.93 87.04 4.07 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 108.442 -0.947 . . . . 70.31 108.442 -174.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -87.28 129.85 2.82 Favored 'Trans proline' 0 C--N 1.367 1.505 0 C-N-CA 122.201 1.934 . . . . 74.31 114.231 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.421 HG13 ' HB2' ' A' ' 30' ' ' LEU . 15.7 mt -81.93 131.62 56.49 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 108.026 -1.102 . . . . 75.11 108.026 164.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.688 ' HD3' ' HA2' ' A' ' 162' ' ' GLY . 87.0 Cg_exo -49.03 130.68 24.31 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 123.634 2.89 . . . . 74.01 112.767 172.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -47.7 -37.9 28.39 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 124.835 3.69 . . . . 73.05 115.683 -169.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.05 83.51 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.335 0.254 . . . . 44.14 110.756 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.22 -33.35 65.29 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.871 0.868 . . . . 75.14 110.6 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -63.45 -22.24 66.77 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.617 0.767 . . . . 75.14 111.461 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.93 -35.06 89.85 Favored Glycine 0 C--N 1.348 1.241 0 CA-C-N 116.416 -0.357 . . . . 70.11 113.013 171.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.81 13.82 15.28 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.756 0.822 . . . . 62.24 112.11 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -88.56 119.4 28.98 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.655 -0.498 . . . . 74.52 109.655 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -108.22 -47.96 3.44 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 108.04 -1.096 . . . . 73.44 108.04 166.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.47 146.52 4.82 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 114.624 -1.171 . . . . 63.43 110.344 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.17 106.69 6.81 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.556 -0.905 . . . . 42.5 108.556 176.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 185' ' ' ARG . 0.0 OUTLIER -71.89 172.03 10.65 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.527 -0.916 . . . . 72.01 108.527 170.464 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' HA ' ' HB2' ' A' ' 185' ' ' ARG . 3.1 p90 -166.6 164.66 16.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.167 0.587 . . . . 72.12 110.332 -170.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -59.9 155.73 15.88 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.024 0.828 . . . . 65.32 109.421 171.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -74.8 150.82 39.18 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 108.128 -1.064 . . . . 73.11 108.128 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.415 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.5 mp -69.14 122.25 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 109.405 -0.591 . . . . 72.13 109.405 -167.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -112.26 128.32 56.23 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 122.976 0.51 . . . . 74.34 109.9 -172.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.09 -9.29 59.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.519 1.128 . . . . 73.03 112.096 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.1 m -70.28 -31.59 69.02 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.853 0.461 . . . . 74.43 110.619 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 182' ' ' ALA . 61.1 m-85 -104.17 12.65 33.59 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.444 0.698 . . . . 74.31 110.316 -178.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -93.35 83.26 4.55 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 107.194 -1.41 . . . . 75.44 107.194 165.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 m -104.07 170.19 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-O 120.925 0.393 . . . . 71.22 110.418 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.77 145.2 43.01 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.753 -0.832 . . . . 74.44 108.753 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.409 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . . . -127.63 141.18 51.69 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.27 0.628 . . . . 63.2 110.448 -178.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.4 ttm105 -73.66 116.32 14.11 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.01 -0.737 . . . . 74.3 109.01 -176.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -77.86 106.88 9.99 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.389 -0.823 . . . . 72.45 109.037 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -106.58 97.6 17.43 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 107.688 -1.227 . . . . 63.34 107.688 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -63.48 144.22 89.94 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 122.526 2.151 . . . . 72.13 110.482 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.0 98.53 0.43 Allowed 'General case' 0 C--N 1.345 0.405 0 CA-C-O 121.349 0.595 . . . . 74.42 110.232 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -61.87 -35.16 77.49 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.337 -1.301 . . . . 64.12 109.8 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -126.32 96.26 36.82 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 124.752 1.221 . . . . 70.24 108.921 168.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.02 121.11 5.24 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 122.508 2.139 . . . . 73.02 112.779 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -120.0 140.85 50.32 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.27 0.628 . . . . 60.05 111.546 -177.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.14 110.16 15.29 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.109 0.964 . . . . 65.14 110.129 174.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 m -106.52 160.04 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.24 1.016 . . . . 73.24 109.946 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -109.65 120.05 41.29 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.938 0.895 . . . . 73.13 108.646 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.619 ' HB2' ' HB1' ' A' ' 168' ' ' ALA . 0.7 OUTLIER -113.82 127.21 55.91 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 107.476 -1.305 . . . . 75.44 107.476 175.058 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.09 153.26 41.33 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 117.984 0.356 . . . . 64.24 110.322 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.7 p -128.5 167.17 17.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.576 0.35 . . . . 74.34 110.658 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.1 p -92.73 -26.66 17.66 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.152 0.981 . . . . 74.04 111.737 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.7 -30.07 59.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.214 0.606 . . . . 72.03 112.254 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.64 -123.11 1.05 Allowed Glycine 0 C--N 1.348 1.215 0 CA-C-O 118.888 -0.951 . . . . 63.15 112.968 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -68.88 153.64 72.38 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 123.305 2.67 . . . . 54.14 112.791 -172.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.06 140.77 91.54 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.68 2.254 . . . . 73.04 112.626 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.04 125.97 40.95 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 124.188 0.995 . . . . 74.42 109.395 -176.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -83.27 133.46 34.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.255 0.622 . . . . 72.55 110.048 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -141.07 136.37 31.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.372 0.669 . . . . 62.11 109.754 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -94.37 132.19 39.24 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.413 -0.958 . . . . 73.41 108.413 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.535 ' HD2' HG21 ' A' ' 103' ' ' THR . 10.3 mtm180 -72.87 113.31 9.76 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.09 -0.707 . . . . 75.32 109.09 -175.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -84.05 -42.79 15.78 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.08 0.952 . . . . 72.04 111.191 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.99 174.61 15.09 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.165 -0.925 . . . . 74.14 109.895 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.565 HG12 HG22 ' A' ' 101' ' ' THR . 0.1 OUTLIER -139.24 119.89 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.025 0 N-CA-C 107.706 -1.22 . . . . 73.04 107.706 174.37 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' A' ' 104' ' ' ALA . 1.5 mm? -96.96 117.95 32.28 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.147 0.979 . . . . 61.1 110.798 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.58 121.26 6.19 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-O 119.648 -0.529 . . . . 72.53 112.136 -176.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.409 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 33.9 p90 -155.1 -176.21 5.82 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 117.587 0.693 . . . . 73.53 110.206 -173.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -135.07 160.06 39.53 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 123.133 0.573 . . . . 73.41 110.359 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.6 tp -159.02 135.11 8.96 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 107.247 -1.39 . . . . 72.14 107.247 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.11 -108.56 2.45 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-N 117.988 0.358 . . . . 64.43 112.954 -174.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -123.89 10.1 8.86 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.221 1.009 . . . . 70.42 109.39 175.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m -117.9 121.46 40.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.639 0.375 . . . . 72.11 110.952 -171.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -98.22 129.91 44.96 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.442 -0.947 . . . . 70.51 108.442 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -143.79 165.55 27.36 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.48 0.657 . . . . 75.13 110.582 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.565 HG22 HG12 ' A' ' 90' ' ' VAL . 3.2 m -124.89 119.34 28.53 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 107.091 -1.448 . . . . 73.33 107.091 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mp -104.67 133.94 48.66 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.386 -0.968 . . . . 72.11 108.386 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.535 HG21 ' HD2' ' A' ' 87' ' ' ARG . 58.3 m -84.65 133.55 34.4 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 120.823 0.344 . . . . 74.45 110.368 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.563 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -98.08 121.11 39.6 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 107.822 -1.177 . . . . 74.05 107.822 171.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -94.3 160.96 14.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.574 0.702 . . . . 74.15 111.384 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.508 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 42.3 ttm180 -101.78 113.38 26.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.057 -1.429 . . . . 73.2 108.412 -173.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.94 110.2 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.445 1.098 . . . . 61.15 108.841 177.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.3 122.76 13.28 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.636 1.575 . . . . 65.42 112.282 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.86 -16.7 56.19 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.756 -0.657 . . . . 54.42 113.429 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -88.21 120.74 29.86 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.664 0.786 . . . . 71.4 110.173 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.2 t -60.19 -24.67 64.98 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.377 1.471 . . . . 44.23 113.391 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.3 m -98.85 166.99 11.04 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.069 0.547 . . . . 61.23 111.249 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.501 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 82.9 mt -101.36 137.48 39.65 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.715 1.206 . . . . 52.2 108.892 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -94.02 97.18 10.15 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.965 -0.754 . . . . 72.33 108.965 -170.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.563 HG22 ' HA ' ' A' ' 104' ' ' ALA . 55.1 t -104.96 107.22 58.17 Favored Pre-proline 0 N--CA 1.483 1.223 0 C-N-CA 123.008 0.523 . . . . 60.41 110.146 -176.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.8 144.97 17.66 Favored 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 122.215 1.943 . . . . 74.4 110.071 168.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -159.57 156.48 28.13 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 122.372 -0.205 . . . . 74.43 110.562 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.8 p -121.15 145.8 47.44 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.096 -0.705 . . . . 71.52 109.096 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -118.29 -173.77 2.53 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.547 1.139 . . . . 53.42 109.035 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -81.03 -21.47 40.12 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 109.994 -0.373 . . . . 75.44 109.994 163.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.9 m -71.53 -34.89 70.45 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.171 0.988 . . . . 63.03 111.004 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 60.4 p -71.41 -39.31 71.18 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.708 -0.678 . . . . 73.25 109.822 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.07 -35.21 77.95 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.131 0.972 . . . . 74.54 110.941 172.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -74.6 -18.53 60.55 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.551 1.14 . . . . 74.45 110.849 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 92.33 -21.59 37.09 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 119.138 -0.812 . . . . 42.41 114.96 175.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -73.19 -12.5 60.9 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 117.881 0.841 . . . . 61.31 113.205 -170.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.529 ' HB ' ' HD3' ' A' ' 132' ' ' ARG . 59.9 p -123.63 155.98 36.7 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 106.538 -1.653 . . . . 64.44 106.538 159.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.406 ' OH ' ' HB3' ' A' ' 160' ' ' ALA . 8.3 m-85 -40.89 118.19 0.95 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 113.685 0.994 . . . . 71.22 113.685 -170.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.15 -34.87 70.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.605 1.162 . . . . 55.34 112.69 -173.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -84.36 9.01 14.27 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.543 0.737 . . . . 61.41 111.591 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 108.02 178.21 22.13 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 116.049 -0.523 . . . . 74.04 112.273 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.788 HH11 ' HG3' ' A' ' 184' ' ' GLU . 78.3 mtm180 -130.74 -179.97 5.61 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 124.903 1.281 . . . . 71.21 108.854 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -126.49 157.46 38.65 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 124.686 1.195 . . . . 73.31 109.986 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.9 tt -141.93 121.13 13.02 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 105.28 -2.118 . . . . 72.34 105.28 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -98.19 109.34 22.11 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.096 -1.446 . . . . 75.41 107.096 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 113' ' ' LEU . 89.0 t -98.92 123.5 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 115.279 -0.873 . . . . 74.21 110.506 -169.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -82.35 114.71 53.33 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 107.115 -1.439 . . . . 65.23 107.115 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.33 -23.89 72.02 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.768 2.312 . . . . 74.33 113.619 -175.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.488 ' HB2' HG11 ' A' ' 8' ' ' VAL . . . 52.85 32.14 11.88 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 114.294 1.22 . . . . 65.3 114.294 176.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 65.86 25.76 71.98 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.661 -0.7 . . . . 73.43 113.997 -176.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.65 163.4 23.9 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.239 0.829 . . . . 65.4 113.239 -175.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -139.09 174.17 10.79 Favored 'General case' 0 C--O 1.253 1.275 0 C-N-CA 124.772 1.229 . . . . 71.33 108.119 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.66 108.74 2.12 Favored Glycine 0 C--N 1.342 0.917 0 C-N-CA 123.27 0.462 . . . . 75.3 113.495 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.35 10.44 44.77 Favored Glycine 0 C--N 1.343 0.949 0 O-C-N 124.142 0.554 . . . . 74.14 113.317 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.48 -170.75 3.22 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 109.33 -0.618 . . . . 75.54 109.33 167.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -128.15 158.73 37.23 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.775 0.43 . . . . 61.11 110.38 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 15.9 m -135.94 146.51 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 108.429 -0.952 . . . . 75.43 108.429 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.8 105.96 6.11 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 122.738 0.415 . . . . 61.03 110.506 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 7.3 mt -94.81 86.32 4.67 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-O 122.548 1.166 . . . . 64.21 109.228 173.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.64 105.97 17.71 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 113.421 -1.718 . . . . 74.12 109.027 173.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.539 ' HB3' HG21 ' A' ' 180' ' ' ILE . 24.9 m-85 -71.59 -15.27 62.26 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.514 0.726 . . . . 73.45 110.481 174.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.534 ' HB3' ' HB1' ' A' ' 182' ' ' ALA . 2.3 p30 -76.69 -3.83 40.06 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.56 1.144 . . . . 71.44 112.681 173.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -112.44 5.61 18.18 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.176 0.591 . . . . 53.2 111.151 168.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.79 131.02 49.62 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.41 0.624 . . . . 50.22 111.845 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -99.45 166.47 11.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.103 1.361 . . . . 74.01 109.665 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -152.48 141.97 14.57 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 124.467 1.107 . . . . 74.1 108.165 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.39 120.43 7.38 Favored 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 121.212 1.274 . . . . 71.11 110.605 177.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.432 ' CD1' HD12 ' A' ' 30' ' ' LEU . 86.0 m-85 -85.6 -2.75 58.49 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.742 0.817 . . . . 75.21 112.338 -175.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 11.0 m -62.02 -20.4 63.88 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.183 0.993 . . . . 61.34 112.197 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.428 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . . . -63.7 -32.47 73.97 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.0 0.52 . . . . 45.35 112.063 174.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -65.07 -12.3 49.1 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.652 0.781 . . . . 72.51 110.962 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.688 ' HA2' ' HD3' ' A' ' 39' ' ' PRO . . . -93.23 -40.13 4.91 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 124.122 0.889 . . . . 50.31 111.042 172.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 163.71 -40.65 0.32 Allowed Glycine 0 C--N 1.352 1.434 0 O-C-N 123.39 0.112 . . . . 53.15 112.876 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.1 t -157.26 162.29 39.21 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.037 0.935 . . . . 64.54 109.542 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 160' ' ' ALA . 2.0 p90 -152.96 139.19 18.39 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.667 0.387 . . . . 72.33 110.868 -168.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 63.3 p -83.64 94.12 8.03 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 109.26 -0.645 . . . . 75.22 109.26 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 53.2 t -121.93 112.68 18.6 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 108.229 -1.026 . . . . 65.34 108.229 173.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' A' ' 75' ' ' LEU . . . -71.15 112.19 7.1 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 108.225 -1.028 . . . . 60.21 108.225 170.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 68.6 mt -59.18 122.69 65.24 Favored Pre-proline 0 CA--C 1.547 0.864 0 O-C-N 124.405 1.065 . . . . 71.31 109.613 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.71 146.67 96.54 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.792 2.328 . . . . 73.34 112.479 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.19 158.73 21.05 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 122.243 1.962 . . . . 74.23 112.571 168.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -54.04 -27.96 35.58 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 114.022 1.119 . . . . 75.14 114.022 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -79.46 -15.39 57.88 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.178 0.513 . . . . 74.05 110.753 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -88.73 8.24 29.79 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.163 0.985 . . . . 74.11 110.66 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -90.25 122.86 33.55 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.854 -0.529 . . . . 61.03 109.91 172.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 41.4 t -98.43 109.99 54.83 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.568 1.147 . . . . 74.24 108.094 170.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.69 57.04 2.4 Favored 'Trans proline' 0 C--N 1.374 1.913 0 C-N-CA 124.087 3.191 . . . . 73.24 113.274 173.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -146.06 145.1 30.44 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.292 1.037 . . . . 73.45 108.892 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -84.35 103.5 13.57 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.281 0.633 . . . . 35.4 109.441 177.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' ILE . . . . . 0.539 HG21 ' HB3' ' A' ' 151' ' ' PHE . 1.9 mp -85.95 98.02 6.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 108.463 -0.94 . . . . 64.13 108.463 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 40.7 p -105.44 67.75 0.78 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 122.547 1.165 . . . . 63.22 108.77 171.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.534 ' HB1' ' HB3' ' A' ' 152' ' ' ASN . . . -99.32 -174.64 2.79 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 113.571 -1.65 . . . . 64.12 106.79 170.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -75.31 92.14 0.85 Allowed Glycine 0 C--N 1.359 1.824 0 C-N-CA 118.2 -1.952 . . . . 62.31 111.42 -178.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' GLU . . . . . 0.788 ' HG3' HH11 ' A' ' 132' ' ' ARG . 0.3 OUTLIER -143.7 160.46 40.66 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.865 2.066 . . . . 72.24 107.593 170.747 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.473 ' HB2' ' HA ' ' A' ' 51' ' ' TYR . 75.3 ttt-85 -171.93 135.39 0.82 Allowed 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 117.925 0.33 . . . . 64.24 110.842 169.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 12.2 t -124.33 150.46 29.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 N-CA-C 107.313 -1.366 . . . . 74.24 107.313 166.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' ASP . . . . . 0.538 ' HB2' HD23 ' A' ' 190' ' ' LEU . 14.1 m-20 -73.75 125.09 27.32 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.982 0.513 . . . . 63.22 110.754 -175.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -57.39 -23.44 49.25 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.334 1.054 . . . . 55.52 112.982 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -63.07 -36.38 83.39 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.179 0.991 . . . . 63.52 111.243 174.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.538 HD23 ' HB2' ' A' ' 187' ' ' ASP . 3.6 mm? -93.16 -56.51 2.93 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.65 0.78 . . . . 73.25 110.183 -178.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 . . . . . 0 C--O 1.251 1.172 0 C-N-CA 123.553 0.741 . . . . 63.34 109.659 177.589 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.961 0.41 . . . . 64.05 110.558 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.9 t -69.76 -38.69 10.03 Favored Pre-proline 0 CA--C 1.562 1.407 0 CA-C-N 115.249 -0.887 . . . . 44.42 110.397 166.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -71.24 166.52 28.99 Favored 'Trans proline' 0 C--N 1.387 2.579 0 C-N-CA 121.446 1.43 . . . . 72.22 111.423 162.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 tt -66.57 132.93 94.2 Favored Pre-proline 0 CA--C 1.561 1.369 0 N-CA-C 109.314 -0.624 . . . . 74.2 109.314 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 19.5 Cg_endo -67.48 127.43 16.45 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 121.936 1.757 . . . . 62.51 110.997 -177.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mt -172.63 -59.98 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.192 1.397 . . . . 74.34 108.953 -173.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -84.06 36.25 0.58 Allowed 'Trans proline' 0 C--N 1.393 2.874 0 C-N-CA 122.201 1.934 . . . . 72.14 112.618 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.65 -28.85 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.671 0.788 . . . . 74.11 109.603 171.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -87.78 104.13 16.28 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 106.432 -1.692 . . . . 75.25 106.432 156.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -71.53 -179.3 2.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.379 -0.826 . . . . 75.31 111.833 -169.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.8 t -54.24 135.45 44.28 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 109.225 -0.657 . . . . 75.51 109.225 172.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -45.86 -38.35 7.26 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 115.105 1.521 . . . . 64.43 115.105 -159.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.29 -52.61 21.61 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.915 0.486 . . . . 72.33 110.712 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -63.42 -42.83 98.74 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.748 0.819 . . . . 75.24 110.408 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.475 ' NE1' HD11 ' A' ' 19' ' ' ILE . 28.2 t90 -56.91 -49.11 76.59 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.885 1.274 . . . . 74.24 110.788 177.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.21 -42.67 99.01 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.476 -0.784 . . . . 74.43 110.735 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.48 99.35 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.777 0.673 . . . . 51.3 111.979 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 34.6 mmt180 -63.05 -47.84 81.27 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.71 0.404 . . . . 65.31 110.35 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.533 HG23 HD13 ' A' ' 153' ' ' LEU . 57.4 mt -65.31 -37.73 80.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 116.388 -0.369 . . . . 75.44 110.492 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . . . -60.6 -44.17 96.56 Favored 'General case' 0 C--O 1.251 1.169 0 C-N-CA 123.032 0.533 . . . . 75.33 110.314 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.29 93.61 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.92 -1.037 . . . . 73.1 110.445 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -68.78 -32.48 72.24 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.871 -0.604 . . . . 52.54 111.498 175.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.621 ' HE ' ' HA ' ' A' ' 20' ' ' ALA . 71.7 mtm180 -65.47 -51.47 59.88 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 107.668 -1.234 . . . . 72.41 107.668 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.55 -51.83 65.75 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.382 1.051 . . . . 65.22 111.301 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.53 -53.59 27.16 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 124.013 0.821 . . . . 51.02 112.046 -174.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HE3' ' CE1' ' A' ' 155' ' ' TYR . 29.3 mmmt -71.74 -20.28 61.91 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.649 0.379 . . . . 70.5 111.346 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.0 -38.39 27.58 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.156 0.582 . . . . 51.12 111.058 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -84.25 -16.66 42.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 122.249 -0.282 . . . . 64.35 111.104 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -47.5 -53.6 13.87 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.574 1.55 . . . . 73.41 112.107 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.64 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.91 -8.88 52.36 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.4 -0.818 . . . . 75.02 113.182 -174.128 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.51 -51.03 3.42 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.202 0.601 . . . . 61.01 110.295 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -81.46 -58.49 3.01 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.433 0.693 . . . . 54.24 110.848 -170.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -52.93 106.36 0.16 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.491 1.117 . . . . 62.14 110.915 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -76.69 -8.56 57.5 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.428 0.691 . . . . 72.22 111.682 -173.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -11.83 58.64 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.107 0.563 . . . . 72.34 109.821 172.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -142.35 59.09 8.38 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.247 0.619 . . . . 42.33 109.459 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -84.11 166.27 12.83 Favored 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.561 2.174 . . . . 73.4 113.376 -172.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -118.59 136.77 24.27 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 124.13 0.972 . . . . 72.14 108.661 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.2 135.21 59.21 Favored 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.057 2.505 . . . . 75.4 112.649 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.565 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 11.9 Cg_endo -52.73 -19.37 10.56 Favored 'Trans proline' 0 C--N 1.387 2.596 0 C-N-CA 124.063 3.175 . . . . 72.42 114.576 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.33 57.69 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.64 0.376 . . . . 63.42 111.323 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.43 -37.08 52.46 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.067 0.547 . . . . 74.41 110.002 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.565 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 75.3 ttt180 -68.23 -14.5 63.03 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.11 -0.95 . . . . 73.4 111.594 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.52 -36.43 92.57 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 111.51 -0.636 . . . . 65.32 111.51 171.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.82 2.19 31.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.842 0.857 . . . . 72.14 113.214 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -81.15 112.79 18.83 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 109.255 -0.646 . . . . 65.32 109.255 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -138.52 24.7 2.66 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.388 -1.338 . . . . 72.21 107.388 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.95 115.66 2.6 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 114.438 -1.256 . . . . 53.0 110.245 -165.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.428 HD22 ' H ' ' A' ' 49' ' ' LEU . 2.0 mm? -73.48 176.93 5.64 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 117.561 0.68 . . . . 73.15 109.731 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -70.83 112.88 7.37 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.197 0.522 . . . . 63.44 109.863 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -128.25 118.89 24.09 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.125 -1.435 . . . . 71.03 107.125 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -83.03 175.15 10.25 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.249 1.019 . . . . 74.34 109.761 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -78.04 169.97 17.38 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.575 -0.898 . . . . 70.31 108.575 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 mp -73.38 116.07 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 N-CA-C 109.523 -0.547 . . . . 62.11 109.523 -173.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -90.6 105.34 17.75 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.089 0.956 . . . . 75.24 110.339 -172.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.65 -17.1 58.06 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.19 0.596 . . . . 70.51 112.577 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.2 t -67.32 -47.46 70.47 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.562 0.745 . . . . 62.54 111.552 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -94.59 34.69 1.29 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.219 1.008 . . . . 73.25 112.598 -175.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 31.6 ptt180 -104.17 102.96 12.68 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.935 -1.135 . . . . 74.15 107.935 162.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.4 m -100.53 161.0 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.184 -0.673 . . . . 73.53 109.184 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.36 113.33 26.74 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.373 -0.973 . . . . 71.11 108.373 175.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.438 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -104.23 131.36 51.63 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.349 0.66 . . . . 61.21 109.909 -173.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -74.18 118.23 16.9 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 123.504 0.721 . . . . 74.32 109.14 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -84.34 123.34 30.08 Favored 'General case' 0 C--O 1.253 1.284 0 C-N-CA 124.65 1.18 . . . . 71.21 110.262 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -128.3 105.07 19.71 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.06 0.944 . . . . 74.31 108.601 170.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 52.6 Cg_endo -66.42 150.04 84.47 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.458 2.105 . . . . 43.31 111.074 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.91 122.42 17.32 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.641 0.376 . . . . 63.35 110.642 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -54.41 -39.85 67.69 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.288 1.035 . . . . 75.12 111.462 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -128.52 94.17 36.08 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 123.353 0.661 . . . . 73.01 110.038 172.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.41 120.73 7.99 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.125 1.883 . . . . 73.22 111.188 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.467 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 10.9 pt-20 -139.16 156.23 47.28 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.252 0.621 . . . . 74.24 110.828 -176.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.56 121.45 25.26 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 123.57 0.544 . . . . 71.25 110.492 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.2 m -118.81 155.2 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.154 1.381 . . . . 62.23 108.563 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.86 129.35 46.72 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.402 0.62 . . . . 75.22 109.663 176.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.486 HD23 ' HD2' ' A' ' 85' ' ' TYR . 2.7 mm? -108.48 133.93 51.96 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 106.037 -1.838 . . . . 71.51 106.037 170.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.571 ' HB2' ' HB2' ' A' ' 169' ' ' LEU . 42.0 mt-10 -65.5 162.93 16.96 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 117.939 0.336 . . . . 62.45 110.455 -176.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.4 p -135.03 159.2 42.26 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.09 -0.707 . . . . 73.25 109.09 173.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.9 p -85.97 -22.91 27.11 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.124 -0.944 . . . . 71.33 110.863 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.483 ' HD3' ' HB3' ' A' ' 166' ' ' SER . 35.1 ptt85 -84.84 -25.42 28.09 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.438 0.903 . . . . 75.02 113.438 -175.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.84 -118.19 0.88 Allowed Glycine 0 N--CA 1.475 1.299 0 CA-C-O 118.667 -1.074 . . . . 31.24 112.475 -171.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -57.39 135.55 70.71 Favored 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 123.507 2.805 . . . . 55.24 112.601 -174.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.75 147.06 74.72 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.898 2.399 . . . . 61.13 112.639 -174.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.55 109.66 17.58 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.885 0.874 . . . . 74.21 109.103 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.12 127.53 41.25 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.783 0.433 . . . . 73.23 110.446 -176.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.571 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.7 m-85 -138.2 155.56 48.55 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.375 0.67 . . . . 73.1 109.226 -174.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 74.1 m -87.51 152.3 22.32 Favored 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 109.52 -0.548 . . . . 74.21 109.52 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.467 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 26.0 mtm180 -77.38 109.51 11.36 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.995 0.816 . . . . 74.15 109.786 174.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -88.83 -54.24 4.23 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.099 0.476 . . . . 63.24 111.06 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -156.0 172.48 18.32 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.352 -0.84 . . . . 64.34 110.91 -171.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 36.5 t -136.08 120.37 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 N-CA-C 106.955 -1.498 . . . . 60.02 106.955 173.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.438 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.2 mm? -101.39 120.32 40.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.597 1.159 . . . . 73.3 110.873 -176.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.77 129.71 9.97 Favored Glycine 0 C--N 1.347 1.151 0 N-CA-C 110.777 -0.929 . . . . 42.42 110.777 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -152.19 -173.03 4.41 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 117.793 0.796 . . . . 73.44 108.993 -175.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.538 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 6.7 p-10 -129.07 139.9 51.82 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 122.516 0.326 . . . . 71.02 110.643 173.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.6 mt -146.89 139.89 25.27 Favored 'General case' 0 C--O 1.257 1.471 0 C-N-CA 124.594 1.158 . . . . 71.2 109.75 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.6 -109.27 2.25 Favored Glycine 0 C--N 1.347 1.191 0 O-C-N 124.045 0.841 . . . . 44.35 114.231 167.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.06 -31.09 62.71 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.615 1.166 . . . . 71.02 113.17 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.2 m -159.92 -179.41 7.79 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 114.504 1.298 . . . . 71.4 114.504 -166.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 56.4 p-80 -84.48 119.72 25.48 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.201 -1.363 . . . . 70.21 108.595 171.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -127.55 163.12 24.87 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.801 0.84 . . . . 73.22 110.0 -171.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.0 m -135.81 141.8 44.77 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.141 -0.481 . . . . 74.55 111.169 -168.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.8 mt -123.19 141.35 52.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.635 0.774 . . . . 65.31 109.822 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.7 m -92.27 130.1 38.05 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.825 -0.435 . . . . 55.03 109.825 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.466 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -102.59 130.45 49.47 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.272 1.029 . . . . 73.34 109.666 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.571 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 55.1 m-85 -105.47 154.5 20.26 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 112.367 0.506 . . . . 71.22 112.367 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.582 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 55.9 ttm-85 -106.54 130.86 54.24 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.113 0.965 . . . . 63.22 108.783 -178.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.578 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 70.5 t -109.82 128.58 65.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.117 -0.947 . . . . 61.22 108.69 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.44 131.62 50.66 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.811 0.844 . . . . 73.3 110.389 172.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.06 -23.82 8.88 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.919 -0.378 . . . . 60.53 113.068 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.578 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 12.1 tp10 -105.07 130.83 53.17 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.552 0.741 . . . . 73.11 110.186 -176.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.7 t -81.52 -18.84 43.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.147 0.979 . . . . 61.34 111.746 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.3 m -95.38 138.56 32.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.054 0.542 . . . . 72.41 110.859 -176.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 138' ' ' PRO . 22.8 mt -81.9 130.16 34.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.533 1.133 . . . . 64.24 110.594 -176.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -88.06 112.67 22.89 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.073 -0.714 . . . . 74.15 109.073 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 104' ' ' ALA . 40.3 t -114.43 98.56 49.28 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.286 1.035 . . . . 65.13 109.024 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -80.04 130.59 8.46 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 122.254 1.97 . . . . 75.41 109.615 165.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -153.02 156.2 38.34 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.23 0.538 . . . . 75.14 112.017 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.6 p -113.55 155.33 25.59 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.898 -1.046 . . . . 44.45 108.634 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -137.07 -168.12 2.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.889 0.876 . . . . 72.53 109.152 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.06 -26.26 48.16 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.208 0.458 . . . . 63.41 111.079 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -25.74 68.0 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 123.955 0.902 . . . . 65.33 111.744 -175.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.453 HG22 ' HD1' ' A' ' 128' ' ' TYR . 69.8 p -66.53 -36.64 83.19 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.898 0.879 . . . . 73.13 112.191 176.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.88 -17.87 64.05 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.367 -0.833 . . . . 62.51 111.877 -174.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -74.08 -21.37 59.94 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.332 0.653 . . . . 64.43 111.545 173.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.24 -15.52 11.61 Favored Glycine 0 C--N 1.352 1.454 0 N-CA-C 115.134 0.814 . . . . 64.41 115.134 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -71.59 -53.9 12.22 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 117.523 0.661 . . . . 75.1 110.112 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.7 p -94.49 133.98 37.52 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 118.403 -0.808 . . . . 61.23 109.293 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.453 ' HD1' HG22 ' A' ' 122' ' ' THR . 7.3 p90 24.7 68.09 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 126.153 1.781 . . . . 71.21 114.721 165.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.06 -10.29 4.12 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 114.528 1.307 . . . . 55.22 114.528 -168.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -107.78 10.55 28.73 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.684 0.794 . . . . 72.43 112.343 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.441 ' HA2' HG21 ' A' ' 122' ' ' THR . . . 107.41 174.67 22.5 Favored Glycine 0 C--N 1.343 0.967 0 N-CA-C 111.476 -0.65 . . . . 70.42 111.476 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -119.86 153.53 35.68 Favored 'General case' 0 C--O 1.256 1.403 0 C-N-CA 124.113 0.965 . . . . 70.44 108.478 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.584 ' HD2' ' HD2' ' A' ' 155' ' ' TYR . 0.0 OUTLIER -100.55 165.13 11.57 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.236 -1.024 . . . . 75.42 108.236 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.478 HD22 HG22 ' A' ' 136' ' ' VAL . 0.8 OUTLIER -149.01 145.27 27.22 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 107.27 -1.382 . . . . 74.53 107.27 170.259 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -121.38 101.27 7.52 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 107.463 -1.31 . . . . 71.44 107.463 171.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.478 HG22 HD22 ' A' ' 134' ' ' LEU . 46.6 t -95.25 139.91 17.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 115.142 -0.936 . . . . 65.44 109.113 -171.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -85.81 117.59 69.01 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 108.03 -1.1 . . . . 63.23 108.03 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.416 ' HB3' HD11 ' A' ' 113' ' ' LEU . 35.4 Cg_endo -65.41 -24.41 57.18 Favored 'Trans proline' 0 C--N 1.382 2.317 0 C-N-CA 122.535 2.157 . . . . 52.04 112.376 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 62.91 19.62 11.68 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.739 1.275 . . . . 44.15 111.771 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.96 37.68 53.88 Favored Glycine 0 C--N 1.358 1.765 0 CA-C-N 116.145 -0.48 . . . . 65.0 113.815 -166.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.56 161.96 27.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.435 0.694 . . . . 74.24 110.1 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -136.3 -173.35 3.38 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.094 0.558 . . . . 74.4 110.69 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.38 108.66 2.04 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-N 115.012 -0.995 . . . . 64.03 113.126 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.8 -9.16 34.42 Favored Glycine 0 C--N 1.336 0.574 0 CA-C-O 119.506 -0.608 . . . . 64.3 113.463 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.455 ' HB3' ' HG2' ' A' ' 5' ' ' PRO . 26.5 m-20 -80.92 -179.63 7.41 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.544 -0.91 . . . . 75.24 108.544 169.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -138.9 155.34 48.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.69 0.757 . . . . 72.34 111.308 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.04 146.08 28.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 N-CA-C 107.294 -1.372 . . . . 73.52 107.294 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.89 122.1 25.02 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.905 -0.406 . . . . 74.21 109.905 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.4 mt -92.48 85.07 5.22 Favored 'General case' 0 C--O 1.249 1.054 0 N-CA-C 107.821 -1.177 . . . . 73.24 107.821 169.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.492 ' HB2' HD23 ' A' ' 153' ' ' LEU . 2.9 m-20 -79.71 100.85 8.09 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 114.23 -1.35 . . . . 54.44 107.479 170.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -69.4 -14.73 63.06 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.203 0.601 . . . . 75.4 110.766 178.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.547 ' HA ' ' H ' ' A' ' 183' ' ' GLY . 39.8 p30 -70.24 -23.82 62.97 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.471 0.708 . . . . 72.51 112.236 175.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.533 HD13 HG23 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -75.72 -20.92 58.0 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 118.878 -0.582 . . . . 60.44 111.414 176.08 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -40.49 139.25 0.81 Allowed 'General case' 0 N--CA 1.482 1.157 0 O-C-N 125.153 1.533 . . . . 74.21 114.064 -164.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.584 ' HD2' ' HD2' ' A' ' 133' ' ' TYR . 54.0 t80 -96.12 165.18 12.36 Favored 'General case' 0 C--O 1.262 1.712 0 CA-C-N 115.16 -0.927 . . . . 74.31 109.802 -168.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.56 122.2 61.46 Favored Pre-proline 0 N--CA 1.446 -0.653 0 CA-C-N 114.055 -1.43 . . . . 74.54 112.037 -160.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' PRO . . . . . 0.45 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 6.7 Cg_exo -76.3 125.6 8.57 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.561 2.174 . . . . 64.21 108.136 162.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 69.5 m-85 -74.38 -4.59 37.37 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.849 0.685 . . . . 71.51 112.849 -172.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 66.1 m -64.78 -25.52 67.96 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.818 0.847 . . . . 54.31 111.392 170.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -80.91 9.69 6.09 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.981 0.913 . . . . 31.13 112.02 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 37.3 m-85 -115.16 -8.87 12.36 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.316 1.047 . . . . 71.32 108.999 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.56 -87.64 0.82 Allowed Glycine 0 C--N 1.351 1.396 0 CA-C-N 115.877 -0.601 . . . . 45.43 113.26 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -94.95 22.76 36.45 Favored Glycine 0 N--CA 1.476 1.349 0 N-CA-C 114.561 0.584 . . . . 65.44 114.561 -165.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 16.5 p -140.04 68.9 1.35 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.367 -1.346 . . . . 74.02 107.367 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -88.83 78.47 7.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.852 0.834 . . . . 74.23 110.879 -162.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.483 ' HB3' ' HD3' ' A' ' 79' ' ' ARG . 16.2 p -119.37 100.77 7.51 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.705 0.802 . . . . 70.04 110.25 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 157' ' ' PRO . 43.8 t -130.28 133.61 46.62 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.518 0.727 . . . . 32.02 110.074 174.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -80.56 99.68 8.21 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 108.903 -0.777 . . . . 23.41 108.903 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.571 ' HB2' ' HB2' ' A' ' 76' ' ' GLU . 62.0 mt -68.13 121.69 81.12 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.363 1.065 . . . . 75.53 110.378 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.518 ' HB2' ' HB2' ' A' ' 174' ' ' ASN . 68.5 Cg_endo -82.33 166.13 16.24 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 123.09 2.526 . . . . 70.52 112.868 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.98 169.57 21.87 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.283 1.989 . . . . 73.13 111.767 169.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.15 -21.12 64.8 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.361 0.664 . . . . 72.13 112.194 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.04 -22.78 63.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.003 0.921 . . . . 73.23 111.056 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.518 ' HB2' ' HB2' ' A' ' 170' ' ' PRO . 3.9 m-20 -104.37 35.78 2.6 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.066 0.947 . . . . 74.45 109.833 176.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -109.44 124.23 50.68 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 109.042 -0.725 . . . . 74.34 109.042 170.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 41.8 t -97.49 120.26 61.11 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 108.613 -0.884 . . . . 73.41 108.613 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -73.62 50.05 1.94 Allowed 'Trans proline' 0 C--N 1.37 1.664 0 C-N-CA 123.792 2.995 . . . . 62.24 112.944 171.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -145.83 152.48 39.58 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.166 0.986 . . . . 74.12 108.555 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -93.44 113.07 25.13 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.762 0.425 . . . . 75.3 110.094 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.3 mp -96.87 98.27 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 108.274 -1.01 . . . . 65.04 108.274 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 26.9 p -97.31 58.39 1.5 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.488 1.137 . . . . 64.23 109.714 174.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -116.31 176.79 4.94 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 113.65 -1.613 . . . . 62.21 107.454 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.547 ' H ' ' HA ' ' A' ' 152' ' ' ASN . . . -39.05 108.86 0.09 OUTLIER Glycine 0 N--CA 1.492 2.382 0 O-C-N 124.417 1.073 . . . . 70.13 113.83 -171.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -127.17 157.76 38.88 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 124.57 1.148 . . . . 73.01 112.127 -160.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -101.09 125.35 47.7 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 114.154 -1.384 . . . . 74.23 108.537 170.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.29 140.13 16.85 Favored 'Isoleucine or valine' 0 C--O 1.244 0.815 0 N-CA-C 107.63 -1.248 . . . . 72.33 107.63 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.38 175.99 9.75 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.609 1.163 . . . . 60.32 109.373 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -148.89 21.8 0.99 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 122.892 0.477 . . . . 71.12 111.414 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -128.13 -50.56 1.32 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.335 0.654 . . . . 75.54 110.045 -177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.86 -61.54 1.74 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.014 0.926 . . . . 74.22 109.71 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.558 1.264 0 C-N-CA 123.616 0.766 . . . . 72.21 111.85 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.485 1.314 0 N-CA-C 109.869 -0.419 . . . . 54.32 109.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.458 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 7.4 m -68.37 -44.04 34.37 Favored Pre-proline 0 CA--C 1.568 1.639 0 C-N-CA 123.396 0.678 . . . . 73.32 110.516 174.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' A' ' 2' ' ' SER . 6.1 Cg_exo -78.26 -175.38 2.69 Favored 'Trans proline' 0 C--N 1.4 3.284 0 C-N-CA 122.53 2.153 . . . . 64.13 111.356 163.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.3 tt -56.45 130.59 76.28 Favored Pre-proline 0 CA--C 1.575 1.937 0 C-N-CA 123.476 0.711 . . . . 65.13 110.048 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.91 126.75 10.23 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.578 2.185 . . . . 64.33 111.446 -174.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -166.68 -55.05 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 124.378 1.071 . . . . 72.05 109.941 -170.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -84.82 26.18 0.66 Allowed 'Trans proline' 0 C--N 1.399 3.218 0 C-N-CA 122.343 2.028 . . . . 73.13 111.863 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.18 -26.32 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.418 1.487 . . . . 63.01 110.914 177.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -86.3 33.29 0.62 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.167 1.387 . . . . 71.14 110.673 173.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 40.94 -153.38 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.935 1.294 . . . . 63.53 113.83 -174.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -103.33 152.75 21.19 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 106.06 -1.83 . . . . 75.51 106.06 166.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -43.3 -45.44 5.92 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 114.901 1.445 . . . . 63.44 114.901 -168.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.84 -48.37 71.86 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.853 0.461 . . . . 64.34 111.86 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.26 -34.79 78.16 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.69 0.796 . . . . 44.53 111.744 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.487 ' O ' HG13 ' A' ' 19' ' ' ILE . 41.8 t90 -67.0 -44.97 78.99 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.772 1.229 . . . . 74.43 109.367 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -60.56 -39.64 88.72 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.847 -1.069 . . . . 75.34 110.546 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.02 -37.5 86.04 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.57 0.748 . . . . 74.52 112.093 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 2.7 mmp_? -61.42 -45.31 94.84 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.769 0.428 . . . . 55.41 110.752 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.538 HG21 HD12 ' A' ' 54' ' ' ILE . 58.0 mt -64.54 -48.1 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 123.965 0.791 . . . . 74.14 110.59 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.42 90.31 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.475 0.71 . . . . 71.21 111.433 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -46.81 74.37 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.631 0.772 . . . . 73.15 111.38 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -65.87 -35.63 81.19 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.006 0.922 . . . . 71.24 111.029 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -72.05 -44.04 63.98 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.466 1.106 . . . . 64.23 109.178 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.89 94.63 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.76 0.663 . . . . 63.55 110.584 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.78 -56.44 21.76 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 124.347 1.029 . . . . 65.42 110.414 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -66.06 -15.97 63.52 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.607 0.763 . . . . 73.02 112.711 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.3 -52.65 6.37 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.11 0.564 . . . . 34.4 110.783 175.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.87 -18.11 41.42 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 112.997 0.74 . . . . 74.3 112.997 -173.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.53 -52.19 66.41 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.07 0.548 . . . . 75.14 111.587 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.3 -9.15 58.42 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.167 -0.47 . . . . 73.22 112.03 -174.707 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.7 -49.55 6.79 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.428 0.691 . . . . 75.04 111.02 175.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.4 p -94.73 -57.28 2.51 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.845 0.858 . . . . 74.21 112.134 -171.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -64.79 127.49 31.76 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.622 0.769 . . . . 71.13 112.167 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -79.68 -6.87 58.06 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.846 1.259 . . . . 72.45 111.334 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.24 -5.2 34.22 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.848 0.859 . . . . 63.12 112.245 170.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.509 ' HA ' ' HZ ' ' A' ' 165' ' ' PHE . 43.5 t -156.95 80.72 3.46 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 107.925 -1.139 . . . . 73.13 107.925 172.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.03 126.35 5.02 Favored 'Trans proline' 0 C--N 1.366 1.5 0 C-N-CA 121.794 1.662 . . . . 73.22 112.017 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.55 HD11 HD23 ' A' ' 30' ' ' LEU . 44.0 mt -68.9 135.36 89.81 Favored Pre-proline 0 CA--C 1.559 1.301 0 N-CA-C 108.454 -0.943 . . . . 65.51 108.454 170.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -46.39 131.42 15.09 Favored 'Trans proline' 0 C--N 1.385 2.47 0 C-N-CA 123.632 2.888 . . . . 62.52 112.52 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -53.38 -30.41 52.64 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 124.822 3.681 . . . . 73.03 116.38 -162.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.52 -41.56 65.76 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.042 0.448 . . . . 53.55 110.899 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.49 -38.19 62.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.189 0.996 . . . . 64.51 109.13 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -71.96 -22.93 61.38 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.899 -1.046 . . . . 73.45 110.646 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.73 -39.81 90.12 Favored Glycine 0 C--N 1.346 1.114 0 N-CA-C 111.625 -0.59 . . . . 72.22 111.625 172.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.19 11.64 13.58 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.992 0.917 . . . . 74.25 113.043 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -80.33 131.35 35.62 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.962 0.41 . . . . 74.42 110.805 -173.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -127.32 -39.0 1.91 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.54 1.136 . . . . 74.14 108.932 166.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.22 146.34 4.64 Favored Glycine 0 C--N 1.343 0.947 0 CA-C-O 119.347 -0.696 . . . . 53.13 111.536 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 30' ' ' LEU . 2.4 mm? -70.79 146.23 49.88 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.99 0.516 . . . . 74.01 110.236 -175.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -72.48 115.87 12.26 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.042 -0.725 . . . . 74.0 109.042 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -91.47 138.9 31.21 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.511 -0.768 . . . . 65.32 109.848 -172.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -86.25 158.36 19.73 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.016 0.926 . . . . 72.2 109.742 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.81 162.83 28.48 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.377 0.671 . . . . 75.41 110.841 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.538 HD12 HG21 ' A' ' 19' ' ' ILE . 23.3 mm -86.38 113.39 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.88 -0.785 . . . . 75.31 108.88 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -93.18 95.05 9.15 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 123.692 0.797 . . . . 65.24 109.561 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.87 -9.96 59.65 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.136 -0.938 . . . . 52.43 111.009 173.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.8 m -66.69 -51.73 52.79 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.741 0.816 . . . . 73.34 111.17 172.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.406 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 77.9 m-85 -92.72 31.46 1.37 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.918 0.887 . . . . 73.51 113.276 -171.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 6.2 ptm180 -99.92 100.2 11.08 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.483 0.659 . . . . 74.44 109.308 173.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.4 m -101.46 173.47 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 121.739 -0.601 . . . . 53.33 110.003 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.94 120.93 36.9 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.026 -1.101 . . . . 65.02 108.026 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.59 141.23 38.2 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.629 0.772 . . . . 44.12 109.624 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -74.25 113.08 11.04 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.119 -0.697 . . . . 63.33 109.119 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -74.15 119.92 19.02 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 123.591 0.756 . . . . 72.24 109.653 -177.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -117.0 114.52 39.07 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 107.087 -1.449 . . . . 51.01 107.087 169.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -70.03 157.29 60.36 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 122.021 1.814 . . . . 74.3 110.811 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.04 110.38 2.13 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.118 -0.697 . . . . 75.03 109.118 170.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -51.28 -36.35 41.87 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.493 1.117 . . . . 74.53 111.436 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -156.69 104.62 1.97 Allowed Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 107.906 -1.146 . . . . 65.44 107.906 169.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.33 141.59 93.18 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 123.396 2.731 . . . . 64.24 114.099 -174.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -136.0 161.8 34.65 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.966 1.307 . . . . 75.32 110.074 176.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.47 135.86 37.77 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.634 0.774 . . . . 72.34 110.279 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.1 m -129.12 150.91 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.746 0.818 . . . . 41.34 109.242 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -102.6 109.6 21.27 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.84 -0.8 . . . . 73.22 108.84 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 85' ' ' TYR . 2.4 mm? -93.81 122.22 36.06 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 107.344 -1.354 . . . . 62.44 107.344 177.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.458 ' HA ' ' HB3' ' A' ' 82' ' ' PRO . 36.5 mt-10 -66.28 147.94 52.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.87 0.468 . . . . 73.44 109.8 -176.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.448 ' HB ' ' HB2' ' A' ' 166' ' ' SER . 52.7 p -121.45 156.2 33.24 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.113 0.482 . . . . 74.23 110.711 -174.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.8 p -77.25 -39.11 49.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.644 1.178 . . . . 61.25 111.139 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -83.29 -16.91 44.42 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.17 0.988 . . . . 74.2 112.207 -170.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.3 -125.7 1.35 Allowed Glycine 0 C--N 1.359 1.808 0 CA-C-O 118.904 -0.942 . . . . 72.01 113.963 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.39 146.11 44.3 Favored 'Trans proline' 0 C--N 1.382 2.338 0 C-N-CA 123.705 2.937 . . . . 74.52 113.193 -175.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.458 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . 28.8 Cg_endo -61.0 160.68 24.89 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 123.044 2.496 . . . . 74.54 113.208 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.68 131.02 55.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.165 0.986 . . . . 71.43 110.265 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -82.3 124.22 29.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.434 0.694 . . . . 54.02 109.533 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.562 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 46.2 m-85 -127.28 140.68 52.05 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.705 -1.22 . . . . 64.22 107.705 175.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.3 m -91.9 135.56 33.84 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 108.844 -0.798 . . . . 75.14 108.844 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -72.95 112.09 8.66 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.537 -0.542 . . . . 71.31 109.537 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.532 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.96 -44.34 15.42 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 123.934 0.893 . . . . 72.23 110.737 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -161.48 175.96 11.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 114.79 -1.095 . . . . 73.11 110.439 -174.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 36.4 t -136.64 129.22 45.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 125.542 1.537 . . . . 74.05 107.197 170.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 101' ' ' THR . 2.4 mm? -99.61 121.56 41.38 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.813 0.845 . . . . 55.14 109.662 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.21 124.09 7.16 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 111.303 -0.719 . . . . 42.41 111.303 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.403 ' HE2' HD12 ' A' ' 95' ' ' LEU . 47.6 p90 -152.15 175.0 13.04 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 117.257 0.528 . . . . 71.14 109.753 -174.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -110.31 152.89 25.63 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 107.99 -1.115 . . . . 74.02 107.99 171.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.481 HD13 HG11 ' A' ' 176' ' ' VAL . 1.6 tt -160.21 130.35 5.37 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 106.789 -1.56 . . . . 74.33 106.789 -175.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.99 -103.63 1.5 Allowed Glycine 0 C--N 1.347 1.167 0 N-CA-C 109.725 -1.35 . . . . 73.22 109.725 -173.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -136.62 16.75 3.12 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.902 0.881 . . . . 71.2 109.283 169.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.6 m -128.8 147.09 50.77 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.131 0.572 . . . . 33.31 111.405 -170.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -86.04 136.68 33.14 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.451 -0.795 . . . . 74.12 109.369 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -140.59 149.49 42.43 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 121.521 0.677 . . . . 70.41 110.13 173.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.87 125.16 46.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 113.892 -1.504 . . . . 73.24 107.954 175.746 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 66.1 mt -109.39 132.96 53.64 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.52 -0.918 . . . . 53.21 108.52 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.5 m -85.59 129.78 34.74 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 109.725 -0.472 . . . . 71.43 109.725 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.08 124.94 44.45 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.985 1.314 . . . . 24.25 108.802 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.562 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 55.6 m-85 -102.22 168.56 9.28 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.925 0.89 . . . . 75.41 111.326 -176.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.532 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 49.7 ttm-85 -120.48 113.79 20.83 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.882 1.273 . . . . 73.15 107.692 -170.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 60.4 t -92.46 154.51 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.722 1.209 . . . . 75.41 109.324 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.98 101.65 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 121.752 0.787 . . . . 74.34 111.3 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 70.57 29.83 69.36 Favored Glycine 0 CA--C 1.538 1.501 0 CA-C-N 115.005 -0.998 . . . . 34.21 113.706 174.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.552 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -67.28 172.93 4.28 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.862 0.865 . . . . 72.4 112.233 -172.745 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.3 m -118.36 -36.35 3.56 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.706 0.802 . . . . 65.12 109.2 167.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.1 m -111.85 142.91 43.63 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.09 -0.959 . . . . 52.42 110.075 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.11 148.29 28.61 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.46 1.104 . . . . 53.32 109.34 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -100.29 114.69 28.36 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.796 0.838 . . . . 72.34 109.842 -172.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 88.1 t -110.23 94.8 19.35 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 109.211 -0.662 . . . . 65.25 109.211 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -84.96 111.58 1.41 Allowed 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.24 1.96 . . . . 73.45 109.547 170.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.543 ' HA ' ' HB3' ' A' ' 174' ' ' ASN . 16.7 p90 -129.65 176.15 8.23 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.188 0.995 . . . . 72.33 109.281 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.526 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.2 p -135.73 161.78 34.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.181 0.593 . . . . 75.21 109.992 175.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.12 -178.77 4.78 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.251 -1.341 . . . . 73.25 109.536 -169.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.74 -33.72 66.58 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 119.231 -0.414 . . . . 70.01 110.772 165.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 54.1 p -60.73 -46.11 91.66 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.166 0.986 . . . . 72.12 111.141 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.571 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 66.7 p -64.31 -45.18 89.06 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.786 -1.097 . . . . 72.32 110.15 177.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.2 -30.2 70.61 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.229 1.012 . . . . 70.2 112.058 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -78.07 -1.52 32.76 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.926 0.89 . . . . 54.4 111.748 174.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.6 73.44 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 123.429 0.538 . . . . 44.44 114.203 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -84.88 -29.12 25.49 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 121.525 0.678 . . . . 70.4 110.315 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.717 ' HA ' ' HA ' ' A' ' 186' ' ' VAL . 43.9 p -130.87 173.55 10.85 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 125.633 1.573 . . . . 53.45 109.403 177.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.529 ' HA ' ' HB2' ' A' ' 187' ' ' ASP . 26.1 t80 -64.28 104.32 0.74 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.006 0.523 . . . . 73.34 112.042 -166.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.571 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 15.5 pt-20 -63.94 -27.87 69.44 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.467 1.107 . . . . 74.45 113.343 -169.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -82.19 -5.95 58.85 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.476 0.711 . . . . 54.11 112.698 -172.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.63 150.36 5.22 Favored Glycine 0 C--N 1.352 1.448 0 C-N-CA 121.75 -0.262 . . . . 64.35 113.346 173.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 117' ' ' PHE . 4.5 ptm180 -128.87 138.81 52.24 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.42 -1.326 . . . . 75.21 107.42 172.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.09 155.36 17.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.7 0.8 . . . . 64.01 110.729 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.05 131.82 39.28 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 107.408 -1.33 . . . . 73.33 107.408 168.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -92.77 112.81 24.89 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 108.012 -1.107 . . . . 75.45 108.012 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.0 t -116.36 112.76 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.052 -0.722 . . . . 74.25 109.052 -173.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -85.02 125.28 70.91 Favored Pre-proline 0 CA--C 1.543 0.678 0 N-CA-C 108.4 -0.963 . . . . 60.21 108.4 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -60.33 -33.55 94.33 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.941 2.427 . . . . 70.04 112.588 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 48.86 40.0 15.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.778 1.231 . . . . 71.32 112.818 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.93 37.55 53.42 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 115.107 -0.951 . . . . 63.22 114.842 -176.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -81.19 156.52 25.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.994 0.517 . . . . 43.33 111.244 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -121.82 175.45 6.27 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.758 1.223 . . . . 73.24 109.587 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -55.13 112.58 3.0 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 124.263 0.977 . . . . 64.01 113.73 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.03 0.59 58.62 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-O 119.504 -0.609 . . . . 64.43 114.108 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -79.55 -175.67 4.9 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 108.132 -1.062 . . . . 71.14 108.132 164.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -139.74 155.86 47.1 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.926 0.87 . . . . 73.42 111.955 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.8 m -132.16 162.42 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 125.684 1.594 . . . . 75.45 107.71 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.55 121.35 28.96 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 122.586 0.355 . . . . 70.04 110.359 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.3 mt -102.97 83.73 2.27 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 107.971 -1.122 . . . . 64.14 107.971 168.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.543 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 7.5 m-20 -79.42 99.1 7.04 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.487 -1.301 . . . . 73.35 107.487 174.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.406 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 25.6 m-85 -66.06 -16.8 64.24 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 123.683 0.793 . . . . 74.31 112.736 -176.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -56.01 -31.45 63.09 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.791 0.837 . . . . 73.41 110.989 170.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' A' ' 150' ' ' ASP . 3.5 mm? -92.16 19.9 6.46 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.377 1.071 . . . . 55.42 111.628 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.85 107.36 1.8 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 109.156 -0.683 . . . . 61.0 109.156 165.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -105.74 132.11 52.26 Favored 'General case' 0 C--O 1.212 -0.906 0 N-CA-C 108.206 -1.035 . . . . 71.44 108.206 -178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 128' ' ' TYR . 13.4 m120 -97.67 146.68 31.84 Favored Pre-proline 0 N--CA 1.481 1.1 0 N-CA-C 108.249 -1.019 . . . . 75.31 108.249 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' PRO . . . . . 0.541 ' HG2' ' SG ' ' A' ' 159' ' ' CYS . 27.2 Cg_endo -59.08 168.0 5.11 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 123.135 2.557 . . . . 62.24 113.173 -176.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.427 ' CD1' HD12 ' A' ' 30' ' ' LEU . 31.9 m-85 -66.7 -7.51 21.36 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.489 0.922 . . . . 65.22 113.489 -174.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' CYS . . . . . 0.541 ' SG ' ' HG2' ' A' ' 157' ' ' PRO . 10.4 p -72.37 -29.71 64.03 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.597 0.759 . . . . 70.44 110.918 172.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.24 61.05 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.553 0.741 . . . . 60.44 110.651 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -86.42 2.28 48.27 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.412 1.085 . . . . 74.2 110.88 174.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 101.54 -7.69 56.14 Favored Glycine 0 C--N 1.355 1.63 0 N-CA-C 114.645 0.618 . . . . 44.25 114.645 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -74.81 159.58 52.23 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-N 117.646 0.723 . . . . 61.11 113.283 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 49.5 p -83.98 70.28 10.43 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.457 0.646 . . . . 73.14 110.788 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.509 ' HZ ' ' HA ' ' A' ' 36' ' ' SER . 83.0 m-85 -123.47 164.48 18.84 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.468 0.707 . . . . 74.1 112.192 -175.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.448 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 32.7 p -99.91 130.39 46.09 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.515 -1.22 . . . . 74.51 110.586 -175.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 77' ' ' THR . 50.9 t -97.06 131.78 43.51 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.211 -0.663 . . . . 74.22 109.211 173.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.29 101.34 4.66 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.253 -1.017 . . . . 75.35 108.253 170.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.33 134.07 93.21 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 123.509 0.724 . . . . 70.1 110.119 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.526 ' HG3' HG23 ' A' ' 118' ' ' THR . 58.0 Cg_endo -68.23 145.06 65.01 Favored 'Trans proline' 0 C--N 1.369 1.637 0 C-N-CA 122.865 2.377 . . . . 73.42 113.066 -171.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -52.55 151.19 19.31 Favored 'Trans proline' 0 C--N 1.372 1.788 0 C-N-CA 122.95 2.434 . . . . 74.32 112.04 163.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -41.02 -45.24 2.58 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.313 1.227 . . . . 72.44 114.313 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -86.5 0.59 53.93 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.591 0.756 . . . . 75.55 111.915 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.543 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . 3.0 m-20 -92.62 -8.31 44.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.089 -0.505 . . . . 63.3 110.698 174.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -80.68 103.02 10.25 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 108.313 -0.995 . . . . 74.41 108.313 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.481 HG11 HD13 ' A' ' 95' ' ' LEU . 47.2 t -85.45 124.37 71.65 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 123.67 0.788 . . . . 73.43 109.295 -177.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.62 50.77 3.52 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 123.92 3.08 . . . . 75.1 112.022 175.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -146.69 149.47 33.5 Favored 'General case' 0 C--O 1.247 0.966 0 C-N-CA 123.592 0.757 . . . . 64.33 109.71 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -96.97 100.35 11.86 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.291 -0.868 . . . . 74.33 110.241 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.5 mp -102.53 91.14 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 106.093 -1.818 . . . . 64.45 106.093 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 12.5 p -80.99 73.13 8.04 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.368 -0.833 . . . . 74.1 108.93 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -116.75 162.01 18.36 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 124.947 1.299 . . . . 72.21 108.159 177.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -70.71 103.05 1.12 Allowed Glycine 0 C--N 1.346 1.09 0 CA-C-O 121.316 0.398 . . . . 73.35 112.693 -170.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -132.85 157.98 43.67 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 125.672 1.589 . . . . 62.22 108.36 173.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.642 ' HD3' ' H ' ' A' ' 186' ' ' VAL . 0.0 OUTLIER -68.06 173.41 4.64 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-O 121.407 0.622 . . . . 75.11 109.867 175.796 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.717 ' HA ' ' HA ' ' A' ' 127' ' ' THR . 33.6 m -124.34 157.85 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.256 0.622 . . . . 72.04 110.84 -163.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 187' ' ' ASP . . . . . 0.542 ' O ' ' HG3' ' A' ' 191' ' ' GLU . 10.1 t70 -85.99 97.27 10.17 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.991 -0.744 . . . . 70.01 108.991 -179.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -71.74 17.37 0.09 Allowed 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 113.844 1.053 . . . . 75.4 113.844 -172.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -116.05 -35.41 4.41 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.852 0.861 . . . . 72.51 109.888 170.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.31 -54.75 4.04 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.185 0.994 . . . . 73.41 112.019 -175.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 191' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 187' ' ' ASP . 1.3 pp20? . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 118.564 -0.731 . . . . 65.12 112.222 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.9 mt . . . . . 0 CA--C 1.543 0.684 0 N-CA-C 109.588 -0.523 . . . . 72.12 109.588 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HG2' ' HB2' ' A' ' 141' ' ' ALA . 8.1 Cg_exo -56.96 125.84 20.3 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 123.085 2.523 . . . . 75.45 111.208 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.454 ' H ' ' HD2' ' A' ' 7' ' ' PRO . 61.8 mt -164.41 -47.75 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 125.917 1.687 . . . . 72.24 108.395 -168.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.454 ' HD2' ' H ' ' A' ' 6' ' ' LEU . 89.4 Cg_endo -79.82 30.42 0.49 Allowed 'Trans proline' 0 C--N 1.397 3.124 0 C-N-CA 122.168 1.912 . . . . 74.3 112.16 168.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.49 HG21 ' H ' ' A' ' 148' ' ' ALA . 25.3 m -61.53 -29.26 45.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.354 1.061 . . . . 75.03 110.77 168.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -84.17 25.92 0.8 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 124.109 0.964 . . . . 73.42 111.526 171.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 26.7 -104.47 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.511 1.524 . . . . 54.54 112.921 -164.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 14' ' ' ALA . 7.6 t -120.38 155.54 33.21 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 105.332 -2.099 . . . . 73.03 105.332 163.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -56.28 -25.79 49.56 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 119.276 0.944 . . . . 75.02 113.187 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.64 -51.26 69.2 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.574 0.75 . . . . 72.44 109.826 172.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . . . -79.42 -18.48 52.13 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.034 -0.985 . . . . 64.1 112.325 -177.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.471 ' O ' HG13 ' A' ' 19' ' ' ILE . 25.8 t90 -75.14 -48.91 21.39 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.581 -0.896 . . . . 74.24 108.581 174.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -60.23 -39.45 86.72 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.598 -0.728 . . . . 70.15 110.135 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' A' ' 14' ' ' ALA . . . -64.54 -39.18 93.3 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.548 0.739 . . . . 72.33 112.181 174.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.55 -54.07 46.14 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.159 0.584 . . . . 75.04 109.491 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.551 HG12 HD11 ' A' ' 153' ' ' LEU . 64.6 mt -63.93 -46.17 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.204 1.002 . . . . 62.41 111.688 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.87 95.68 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.392 0.677 . . . . 64.33 110.761 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.16 -33.17 69.78 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.256 -0.429 . . . . 62.24 111.96 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.25 -36.69 58.36 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.218 0.607 . . . . 65.1 109.893 -175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.478 HH11 ' HB2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -78.37 -31.26 48.38 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.026 -0.533 . . . . 74.34 109.972 176.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.0 82.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.961 0.504 . . . . 42.31 110.499 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.73 -54.86 36.85 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.864 -1.062 . . . . 73.02 110.377 171.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -66.45 -15.42 63.32 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.479 0.712 . . . . 75.23 112.22 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.623 ' HA ' HD23 ' A' ' 49' ' ' LEU . 24.4 t70 -80.91 -51.37 8.64 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.179 0.592 . . . . 74.04 111.018 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -83.81 -25.86 30.04 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 113.376 0.88 . . . . 72.31 113.376 -175.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.81 -42.4 89.05 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.368 0.604 . . . . 74.22 112.059 -170.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.628 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -92.4 -13.08 30.62 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.249 0.833 . . . . 61.2 113.249 -178.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.7 -44.81 8.79 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.354 0.661 . . . . 71.45 111.331 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.0 p -99.08 -57.86 2.07 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.338 1.055 . . . . 53.34 111.024 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -70.94 141.06 51.1 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.604 0.762 . . . . 71.25 111.302 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.9 -10.94 58.58 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.243 1.017 . . . . 65.13 112.405 -171.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -65.87 -24.88 66.96 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.013 0.925 . . . . 74.23 112.444 -173.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -146.38 79.52 10.54 Favored Pre-proline 0 C--O 1.212 -0.899 0 N-CA-C 108.429 -0.952 . . . . 74.42 108.429 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.21 127.45 8.36 Favored 'Trans proline' 0 C--N 1.362 1.264 0 C-N-CA 122.078 1.852 . . . . 74.24 111.811 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.628 HG13 ' HB2' ' A' ' 30' ' ' LEU . 59.6 mt -68.93 135.0 89.75 Favored Pre-proline 0 CA--C 1.554 1.127 0 N-CA-C 107.686 -1.228 . . . . 63.54 107.686 168.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -45.79 129.93 12.26 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 123.71 2.94 . . . . 72.12 112.154 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -48.01 -30.42 13.9 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 124.312 3.341 . . . . 62.25 114.768 -168.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.47 -50.25 68.19 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.76 0.424 . . . . 72.02 111.541 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.81 -35.82 50.94 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.663 0.785 . . . . 64.24 110.364 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -63.86 -32.21 73.65 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.059 0.944 . . . . 74.44 110.982 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.74 -36.2 86.89 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 116.228 -0.442 . . . . 32.31 112.435 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.4 14.52 11.05 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.669 0.788 . . . . 74.04 112.399 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -68.0 110.18 3.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.064 0.546 . . . . 74.11 110.682 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -102.72 -33.33 9.45 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.657 0.783 . . . . 74.4 109.881 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.27 144.28 3.9 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-O 119.436 -0.647 . . . . 62.32 111.971 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' A' ' 27' ' ' ASP . 3.7 mm? -66.62 172.24 4.37 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.78 0.832 . . . . 63.11 112.688 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -75.12 134.45 41.28 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.668 -1.151 . . . . 75.42 110.794 -173.304 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.478 ' HB2' HH11 ' A' ' 23' ' ' ARG . 89.9 t80 -124.31 119.64 29.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.37 -0.974 . . . . 70.03 108.37 173.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.401 ' HE1' ' HB3' ' A' ' 50' ' ' ARG . 1.4 m-85 -99.58 154.81 17.97 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 107.807 -1.183 . . . . 62.33 107.807 174.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -67.46 142.39 56.65 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.048 -0.723 . . . . 73.44 109.048 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.81 111.36 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.278 0.986 . . . . 74.3 109.569 -172.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -100.68 105.03 16.35 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 109.511 -0.551 . . . . 64.34 109.511 -166.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.26 57.85 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.036 -0.983 . . . . 71.34 111.401 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.4 t -74.18 -33.88 63.61 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.197 0.599 . . . . 64.01 110.705 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.467 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 30.2 m-85 -88.41 6.5 37.19 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.308 0.643 . . . . 74.02 111.107 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.543 ' HG3' ' HB3' ' A' ' 150' ' ' ASP . 48.0 ttp180 -98.6 93.16 5.97 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.899 -1.519 . . . . 72.14 106.899 169.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.5 m -99.3 155.06 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 108.877 -0.786 . . . . 63.51 108.877 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.14 118.89 31.74 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.137 -1.06 . . . . 73.05 108.137 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -108.41 131.31 54.9 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.621 0.768 . . . . 63.04 110.077 -172.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.01 107.34 5.31 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.49 -0.93 . . . . 64.11 108.49 -177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -76.95 126.2 30.57 Favored 'General case' 0 C--O 1.249 1.074 0 C-N-CA 123.496 0.718 . . . . 74.35 109.747 -173.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -131.48 106.8 14.46 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 108.165 -1.05 . . . . 61.53 108.165 171.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.35 151.25 65.58 Favored 'Trans proline' 0 C--N 1.366 1.453 0 C-N-CA 122.052 1.835 . . . . 75.54 110.524 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.88 97.26 1.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.375 -0.972 . . . . 53.04 108.375 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -54.48 -28.94 48.23 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.265 1.426 . . . . 65.3 111.541 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -125.52 83.91 61.0 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.509 1.124 . . . . 74.13 109.081 171.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 127.08 9.29 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.812 2.342 . . . . 74.11 111.982 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.551 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 13.4 pt-20 -136.92 157.74 46.05 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.867 0.365 . . . . 71.21 110.618 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.29 115.18 21.23 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.901 0.88 . . . . 71.52 109.937 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 15.1 m -106.41 155.58 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 108.523 -0.917 . . . . 74.42 108.523 175.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -97.93 116.71 30.69 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.502 -0.925 . . . . 74.41 108.502 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.408 HD23 ' HD1' ' A' ' 85' ' ' TYR . 2.7 mm? -101.29 134.06 44.93 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 107.348 -1.353 . . . . 61.23 107.348 171.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB2' HD12 ' A' ' 169' ' ' LEU . 38.0 mt-10 -64.72 157.88 26.21 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 109.934 -0.395 . . . . 64.0 109.934 178.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 68.0 p -139.3 150.79 45.84 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.012 -0.736 . . . . 71.4 109.012 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.438 HG23 ' SG ' ' A' ' 167' ' ' CYS . 33.9 p -77.76 -18.04 56.9 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.0 0.52 . . . . 40.32 109.845 172.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -71.9 -34.06 68.83 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.549 1.14 . . . . 55.41 112.528 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.04 -121.36 1.15 Allowed Glycine 0 C--N 1.342 0.877 0 CA-C-O 118.296 -1.28 . . . . 72.53 111.482 -175.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.09 144.25 80.64 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.037 2.491 . . . . 53.24 112.917 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -64.63 149.98 88.95 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.412 2.074 . . . . 70.44 112.526 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.65 120.98 39.01 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.864 0.866 . . . . 63.5 109.698 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 10.0 pt-20 -79.99 127.03 31.79 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.132 0.492 . . . . 64.15 110.568 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.58 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.9 m-85 -127.69 138.86 52.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.46 -0.941 . . . . 65.32 108.46 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.9 m -84.59 137.36 33.34 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.255 -0.646 . . . . 42.12 109.255 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.551 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 19.3 mtm105 -67.68 108.46 2.93 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.48 -0.933 . . . . 55.23 108.48 175.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.44 -48.16 7.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.75 0.42 . . . . 71.22 110.656 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.46 172.34 18.39 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.62 -0.718 . . . . 42.14 110.903 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.663 HG12 HG22 ' A' ' 101' ' ' THR . 23.5 t -136.49 125.81 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 125.229 1.412 . . . . 31.21 107.364 171.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.606 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 2.2 mm? -103.04 121.03 41.74 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.958 0.903 . . . . 70.45 110.989 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.62 113.8 4.84 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 111.242 -0.743 . . . . 44.1 111.242 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.643 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 27.8 p90 -141.43 174.28 10.7 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.124 -0.695 . . . . 74.11 109.124 -172.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 5.3 p-10 -131.25 142.8 50.2 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.19 -0.67 . . . . 70.53 109.19 175.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.9 tp -159.47 140.71 12.8 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.611 0.764 . . . . 74.52 109.197 -173.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.94 -111.71 4.41 Favored Glycine 0 C--N 1.349 1.297 0 C-N-CA 121.659 -0.305 . . . . 71.22 112.616 172.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -97.42 -21.22 17.29 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.279 0.632 . . . . 73.21 112.299 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m -135.84 150.41 49.4 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 114.155 1.169 . . . . 70.44 114.155 -163.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 26.8 t60 -86.15 130.76 34.42 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.606 -1.179 . . . . 72.13 108.066 165.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -136.59 162.04 34.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.197 0.599 . . . . 74.35 110.238 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.663 HG22 HG12 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -125.01 120.08 30.54 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 106.263 -1.754 . . . . 73.3 106.263 -177.625 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.643 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 10.3 tp -116.58 136.83 52.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.545 0.738 . . . . 61.4 109.36 -163.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.1 m -88.48 125.03 34.56 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 120.824 0.345 . . . . 71.33 110.994 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.419 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -104.02 126.4 51.11 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 124.462 1.105 . . . . 52.11 109.006 176.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.58 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 40.1 m-85 -106.09 162.63 13.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.377 0.608 . . . . 62.21 111.241 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -96.45 133.54 40.74 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.249 1.419 . . . . 73.13 107.749 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 40.4 t -105.05 123.5 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.089 -1.078 . . . . 75.33 108.089 165.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.54 116.18 1.8 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.311 1.045 . . . . 64.44 111.84 176.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.63 -18.52 54.99 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 115.397 -0.82 . . . . 72.31 112.962 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.622 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 12.5 tp10 -97.06 126.42 42.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.757 0.823 . . . . 64.54 109.676 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.6 m -76.16 -22.77 55.01 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.403 1.081 . . . . 52.4 111.646 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.9 m -88.9 136.75 32.85 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.273 0.629 . . . . 75.03 109.435 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 38.0 mt -80.58 142.29 34.22 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.987 0.915 . . . . 72.33 109.634 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.35 108.01 19.51 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.574 -1.269 . . . . 72.31 107.574 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 104' ' ' ALA . 62.2 t -101.11 102.69 21.41 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 109.108 -0.701 . . . . 73.11 109.108 175.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.556 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 28.4 Cg_endo -85.16 120.93 2.27 Favored 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.899 2.399 . . . . 74.14 109.592 169.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -147.51 166.51 27.07 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.917 0.389 . . . . 73.54 111.127 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.5 p -129.15 165.94 20.31 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.11 0.964 . . . . 74.41 108.808 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -158.27 -165.77 1.78 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.022 0.929 . . . . 73.23 109.411 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.72 -26.24 59.67 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.804 0.668 . . . . 65.35 112.804 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.497 ' HB ' ' NH2' ' A' ' 132' ' ' ARG . 4.5 m -80.0 -29.26 39.4 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.81 0.444 . . . . 63.53 110.935 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.51 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 35.6 p -75.96 -38.6 57.36 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.613 0.365 . . . . 60.54 110.077 172.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -59.76 -34.23 72.71 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.353 0.661 . . . . 64.11 110.979 170.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -75.41 -12.8 60.33 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.408 1.083 . . . . 73.13 110.97 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.84 -6.73 58.02 Favored Glycine 0 C--N 1.35 1.316 0 N-CA-C 115.958 1.143 . . . . 75.24 115.958 174.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -92.54 1.71 57.1 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 118.2 1.0 . . . . 73.31 112.273 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.2 p -127.11 164.38 21.73 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 106.687 -1.597 . . . . 73.42 106.687 155.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 130' ' ' HIS . 19.1 t80 -53.83 98.94 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.323 1.015 . . . . 75.21 111.429 -168.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.51 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 0.0 OUTLIER -62.22 -31.05 71.54 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.955 1.302 . . . . 63.21 112.425 -168.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 128' ' ' TYR . 53.3 m80 -75.72 -12.38 60.18 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 116.519 -0.31 . . . . 71.1 110.833 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 142.09 152.39 5.7 Favored Glycine 0 C--N 1.356 1.686 0 C-N-CA 122.749 0.214 . . . . 55.31 113.187 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.556 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 56.4 mtt180 -108.46 144.58 35.89 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.795 0.838 . . . . 75.2 108.761 175.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -96.15 140.4 30.92 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.442 -0.577 . . . . 60.21 109.442 166.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.1 tt -123.23 131.73 53.78 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.874 -1.158 . . . . 65.11 107.874 171.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -94.02 100.11 12.3 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.261 -1.014 . . . . 73.13 108.261 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 56.6 t -107.34 122.65 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 122.933 0.493 . . . . 61.33 109.781 -173.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.94 118.89 74.33 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 109.262 -0.644 . . . . 44.13 109.262 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -67.9 -32.87 28.02 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.379 2.053 . . . . 73.11 112.09 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 54.05 33.47 17.71 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.344 1.058 . . . . 72.25 112.106 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.39 39.58 52.32 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 115.44 -0.8 . . . . 63.23 114.76 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.448 ' HB2' ' HG2' ' A' ' 5' ' ' PRO . . . -76.08 167.63 21.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.796 0.438 . . . . 72.23 111.416 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.87 173.35 11.63 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.762 -0.829 . . . . 75.25 108.762 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -55.93 109.59 1.53 Allowed Glycine 0 C--N 1.352 1.432 0 O-C-N 123.685 0.616 . . . . 52.02 113.457 -175.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.84 -5.45 27.52 Favored Glycine 0 N--CA 1.471 1.008 0 CA-C-O 119.557 -0.579 . . . . 63.35 113.779 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -87.37 -171.44 3.47 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.946 -0.761 . . . . 51.23 108.946 171.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -142.85 158.23 43.83 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.23 0.538 . . . . 61.31 111.928 173.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.3 m -139.69 154.09 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.773 1.229 . . . . 73.22 108.536 176.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.49 ' H ' HG21 ' A' ' 8' ' ' VAL . . . -79.06 118.93 21.5 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.573 0.225 . . . . 44.01 110.722 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.7 mt -93.5 86.63 5.28 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 108.002 -1.11 . . . . 61.32 108.002 167.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.543 ' HB3' ' HG3' ' A' ' 59' ' ' ARG . 0.6 OUTLIER -84.91 95.95 9.19 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.059 -0.973 . . . . 53.25 108.89 173.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.592 ' HB3' HG21 ' A' ' 180' ' ' ILE . 22.4 m-85 -69.65 -15.91 63.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.346 1.058 . . . . 64.14 111.826 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -56.62 -27.11 57.56 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.25 0.62 . . . . 73.32 110.138 169.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.551 HD11 HG12 ' A' ' 19' ' ' ILE . 2.9 mm? -101.41 17.95 21.36 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.47 1.108 . . . . 75.41 111.815 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -73.28 104.98 4.49 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.727 -1.212 . . . . 60.44 107.727 165.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -98.93 176.13 5.7 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 122.287 1.041 . . . . 73.45 110.928 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -113.24 139.26 22.91 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 113.731 -1.577 . . . . 72.45 109.281 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.58 150.24 4.1 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.934 2.423 . . . . 74.11 113.173 168.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -66.76 -4.32 8.78 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.517 0.727 . . . . 75.02 112.893 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 163' ' ' GLY . 11.3 m -65.74 -29.14 69.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.989 0.916 . . . . 74.14 111.857 172.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.421 ' HB2' ' CD2' ' A' ' 128' ' ' TYR . . . -65.87 -21.85 66.49 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.875 0.87 . . . . 73.14 112.063 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . 0.418 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 3.2 m-85 -84.21 -1.84 55.85 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.328 1.051 . . . . 74.23 110.835 -175.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.77 12.53 37.25 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 123.731 0.644 . . . . 31.43 112.734 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -100.11 159.97 19.37 Favored Glycine 0 C--N 1.351 1.393 0 N-CA-C 111.993 -0.443 . . . . 63.05 111.993 176.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 46.8 m -101.39 84.89 2.68 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.781 0.432 . . . . 53.5 110.429 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -113.52 178.32 4.32 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.4 0.68 . . . . 71.31 111.329 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 53.2 p -91.05 105.99 18.21 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.365 0.666 . . . . 71.32 110.931 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . 0.438 ' SG ' HG23 ' A' ' 78' ' ' THR . 24.4 p -93.42 116.07 28.61 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.823 -1.177 . . . . 44.33 107.823 174.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -71.54 93.56 1.22 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.5 -0.555 . . . . 63.43 109.5 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 76' ' ' GLU . 42.6 mt -65.42 110.27 4.15 Favored Pre-proline 0 C--O 1.242 0.67 0 C-N-CA 123.767 0.827 . . . . 72.04 108.802 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -74.65 161.25 39.93 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 122.257 1.971 . . . . 53.53 112.205 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.39 155.48 61.9 Favored 'Trans proline' 0 C--N 1.371 1.721 0 C-N-CA 122.159 1.906 . . . . 74.54 110.806 168.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.39 -15.25 47.79 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.761 0.824 . . . . 42.01 113.11 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.05 -15.17 62.02 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.126 0.97 . . . . 72.42 111.2 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -94.18 18.44 10.87 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.136 0.974 . . . . 64.14 111.361 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -94.85 123.26 38.21 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.589 -0.523 . . . . 70.23 109.589 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 177' ' ' PRO . 58.5 t -94.67 129.03 37.55 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 123.5 0.72 . . . . 64.31 109.136 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 176' ' ' VAL . 9.0 Cg_exo -74.25 56.09 3.71 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 124.023 3.149 . . . . 72.45 112.643 173.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.7 152.97 32.34 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.058 0.943 . . . . 72.54 109.222 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.06 122.01 33.34 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.02 -0.733 . . . . 72.45 109.02 170.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . 0.592 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -106.21 88.95 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 106.981 -1.489 . . . . 72.11 106.981 175.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 16.9 p -71.23 -26.14 62.79 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.356 -0.838 . . . . 73.43 112.522 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 121.302 0.572 . . . . 71.14 110.312 178.673 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.0 tt . . . . . 0 CA--C 1.566 1.595 0 N-CA-C 107.582 -1.266 . . . . 74.33 107.582 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 19.1 Cg_endo -65.05 125.42 14.63 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 121.366 1.378 . . . . 43.42 111.813 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 171.12 -49.41 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 125.637 1.575 . . . . 75.24 108.485 -169.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.24 21.16 0.62 Allowed 'Trans proline' 0 C--N 1.397 3.126 0 C-N-CA 122.803 2.335 . . . . 74.02 112.613 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.1 m -65.86 -27.31 40.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.451 1.1 . . . . 64.44 109.278 172.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 t -80.57 83.0 6.45 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 115.508 -0.769 . . . . 74.33 109.165 166.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -37.65 153.51 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 125.272 1.429 . . . . 42.11 113.427 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -54.64 139.42 38.67 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.729 0.812 . . . . 73.44 110.37 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -37.73 -47.53 0.99 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.432 1.641 . . . . 70.41 115.432 -165.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.87 -52.51 59.69 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.278 0.631 . . . . 72.35 111.411 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -74.46 -25.0 59.13 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.141 0.576 . . . . 53.14 111.242 -176.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.451 ' O ' HG13 ' A' ' 19' ' ' ILE . 21.0 t90 -64.35 -54.82 27.06 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.799 1.239 . . . . 74.15 109.388 173.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -55.61 -38.56 69.61 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 115.027 -0.988 . . . . 62.43 109.841 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.75 97.42 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.847 -0.597 . . . . 74.54 112.14 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 26.4 mmt180 -59.87 -48.75 80.43 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.639 0.375 . . . . 74.43 110.073 175.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 15' ' ' TRP . 23.7 mt -62.7 -43.53 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 115.64 -0.709 . . . . 74.31 110.643 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.24 89.76 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 114.76 -1.109 . . . . 61.43 110.571 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.96 73.76 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.498 0.719 . . . . 63.21 111.448 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -59.43 -53.62 56.12 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.915 0.886 . . . . 74.21 109.819 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -65.03 -41.57 95.14 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-N 114.834 -1.075 . . . . 73.14 111.111 -178.45 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.97 91.9 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.349 0.522 . . . . 52.13 111.402 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.72 -48.73 80.47 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.802 0.689 . . . . 74.42 110.557 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 40.2 mmtm -72.94 -20.59 61.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.562 -0.29 . . . . 65.04 111.408 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' HA ' HD23 ' A' ' 49' ' ' LEU . 8.1 t70 -70.84 -45.14 65.07 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.547 -0.908 . . . . 62.25 108.547 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.61 -18.55 47.85 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.448 -0.796 . . . . 72.54 111.7 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.52 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 37.7 t80 -60.56 -67.37 0.4 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.895 0.478 . . . . 74.13 110.867 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -71.17 -3.99 23.06 Favored 'General case' 0 CA--C 1.565 1.558 0 N-CA-C 113.264 0.838 . . . . 63.01 113.264 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.45 -47.63 5.6 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.68 0.792 . . . . 72.45 112.302 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 t -138.04 45.9 2.09 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-O 122.553 1.168 . . . . 42.35 110.669 -173.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.52 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 80.6 m80 -149.07 134.71 18.69 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 113.947 -1.479 . . . . 63.41 109.661 173.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.05 -36.2 72.43 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.331 1.452 . . . . 75.11 111.881 -175.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -61.6 -25.58 67.43 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.904 1.076 . . . . 72.14 113.904 -167.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 59.5 m -144.74 106.33 4.61 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 107.217 -1.401 . . . . 53.24 107.217 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -90.87 124.61 0.97 Allowed 'Trans proline' 0 CA--C 1.551 1.357 0 C-N-CA 122.192 1.928 . . . . 50.31 112.797 173.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.525 HG13 ' HB2' ' A' ' 30' ' ' LEU . 40.4 mt -71.33 130.81 87.26 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 107.684 -1.228 . . . . 74.32 107.684 162.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -44.5 131.24 9.52 Favored 'Trans proline' 0 C--N 1.385 2.493 0 C-N-CA 123.52 2.813 . . . . 74.41 113.104 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -53.02 -26.84 33.68 Favored 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 124.083 3.189 . . . . 70.34 115.393 -167.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.62 94.24 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.415 0.286 . . . . 54.33 111.545 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -83.46 -41.7 17.75 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.391 0.676 . . . . 63.33 110.785 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -62.83 -30.6 71.61 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.55 0.74 . . . . 74.51 111.473 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.16 -40.92 99.7 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 116.03 -0.532 . . . . 70.33 112.334 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.12 30.25 3.53 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.231 1.012 . . . . 73.3 111.095 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -74.36 117.15 15.85 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 120.952 0.406 . . . . 74.51 110.773 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -102.52 -37.21 8.09 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 108.617 -0.883 . . . . 63.21 108.617 169.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.33 175.54 33.46 Favored Glycine 0 C--O 1.241 0.584 0 CA-C-N 114.172 -1.376 . . . . 72.45 110.209 -174.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 30' ' ' LEU . 4.0 mm? -83.29 -168.03 1.93 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.38 -0.6 . . . . 71.34 109.38 167.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.21 177.47 4.62 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.902 -0.777 . . . . 70.41 108.902 -172.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -158.71 146.46 17.95 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.434 0.459 . . . . 74.55 111.747 176.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -88.05 167.77 13.39 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 108.251 -1.018 . . . . 75.12 108.251 159.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -76.0 145.03 40.55 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 109.201 -0.666 . . . . 73.11 109.201 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.5 mm -72.39 113.63 9.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 123.25 0.62 . . . . 71.41 109.402 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -123.8 123.04 39.61 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.34 0.656 . . . . 71.35 110.585 -169.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.79 -11.35 59.62 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.464 1.106 . . . . 63.32 113.697 -175.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -79.04 -29.61 43.62 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 118.547 0.612 . . . . 74.4 109.591 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 62.0 m-85 -76.36 0.61 18.9 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.985 0.514 . . . . 75.43 111.283 171.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.514 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 53.1 ttp85 -102.94 87.37 2.91 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.392 -0.966 . . . . 65.12 108.392 175.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.6 m -99.63 156.34 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 115.894 -0.594 . . . . 74.12 110.048 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.87 138.78 33.78 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.446 -0.946 . . . . 71.41 108.446 175.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -129.59 140.34 51.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 122.95 0.5 . . . . 74.23 109.825 175.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -72.98 117.82 15.17 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 107.595 -1.261 . . . . 70.32 107.595 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -80.3 110.86 16.14 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 124.215 0.947 . . . . 72.11 108.804 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -110.88 101.69 50.41 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 108.286 -1.005 . . . . 71.21 108.286 169.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.78 153.11 76.63 Favored 'Trans proline' 0 C--N 1.365 1.441 0 C-N-CA 122.683 2.255 . . . . 71.43 111.079 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.86 98.56 1.59 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.374 -0.973 . . . . 74.12 108.374 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -57.95 -29.47 65.21 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.31 1.044 . . . . 75.12 111.029 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -144.82 91.71 6.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 124.418 1.087 . . . . 73.13 108.099 171.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.53 ' HB3' ' O ' ' A' ' 87' ' ' ARG . 5.5 Cg_exo -75.66 150.89 36.0 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.43 2.753 . . . . 52.1 112.392 -175.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.22 166.64 26.41 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.798 0.839 . . . . 73.22 110.146 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.2 135.18 34.46 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 123.401 0.68 . . . . 40.31 109.318 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 35.1 m -128.08 154.98 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.789 1.236 . . . . 75.24 108.676 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -105.61 106.15 16.52 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.23 -0.656 . . . . 74.13 109.23 -173.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.461 HD23 ' HD2' ' A' ' 85' ' ' TYR . 2.8 mm? -91.19 134.8 34.25 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 107.813 -1.181 . . . . 73.44 107.813 175.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.75 153.88 35.03 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.788 0.435 . . . . 64.24 110.032 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.4 p -136.41 167.7 20.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.251 0.621 . . . . 73.1 110.464 -177.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.6 p -98.63 -31.38 11.96 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.499 1.12 . . . . 73.14 110.94 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -72.57 -32.82 66.34 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.21 0.604 . . . . 71.33 112.537 -176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.49 -120.75 0.98 Allowed Glycine 0 C--N 1.346 1.112 0 CA-C-O 118.451 -1.194 . . . . 64.43 112.397 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -56.79 137.95 83.49 Favored 'Trans proline' 0 C--N 1.384 2.447 0 C-N-CA 123.829 3.02 . . . . 51.22 112.784 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -64.14 145.08 88.68 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 123.026 2.484 . . . . 73.24 112.822 -173.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.26 111.84 19.75 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.77 0.828 . . . . 72.11 109.646 -175.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.489 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 38.5 mt-10 -88.59 118.04 27.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.283 0.633 . . . . 52.34 110.266 -178.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.461 ' HD2' HD23 ' A' ' 75' ' ' LEU . 63.5 m-85 -126.99 147.87 50.11 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.08 0.952 . . . . 74.02 109.269 -176.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.4 m -86.29 135.85 33.39 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 109.072 -0.714 . . . . 44.42 109.072 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 70' ' ' PRO . 15.5 mtm180 -74.78 115.37 14.29 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.721 -0.474 . . . . 65.22 109.721 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.55 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -83.19 -46.51 12.63 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.297 0.639 . . . . 65.34 111.378 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -159.87 175.13 13.44 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.433 -0.803 . . . . 72.34 110.562 -173.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.0 t -136.19 118.38 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 N-CA-C 107.023 -1.473 . . . . 74.45 107.023 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.407 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 2.5 mm? -101.12 134.58 43.92 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.268 0.627 . . . . 72.3 111.059 -177.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.31 114.94 3.1 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.857 -0.497 . . . . 62.04 111.857 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.533 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 19.7 p90 -134.43 150.93 50.9 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.185 0.594 . . . . 62.31 109.458 -170.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 9.3 p-10 -109.98 112.07 23.85 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.32 -0.992 . . . . 75.04 108.32 169.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tt -92.86 86.18 5.4 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 107.853 -1.166 . . . . 74.53 107.853 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.03 -73.74 2.53 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-N 113.547 -1.661 . . . . 44.42 111.455 164.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -117.47 -24.5 7.32 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.642 0.777 . . . . 63.31 111.197 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.9 m -107.17 123.15 47.85 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.349 0.26 . . . . 61.31 110.756 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 47.1 p-80 -94.89 111.31 23.11 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 108.338 -0.986 . . . . 73.23 108.338 174.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -127.16 156.72 41.35 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 123.983 0.913 . . . . 63.23 109.292 -172.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.8 m -117.41 145.43 44.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 107.909 -1.145 . . . . 55.02 107.909 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.533 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 9.3 tp -139.53 118.8 12.78 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.023 -0.732 . . . . 73.11 109.023 -167.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.9 m -83.97 126.4 32.98 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 122.703 0.401 . . . . 73.21 110.463 -172.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -105.02 127.5 52.89 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.185 0.994 . . . . 71.5 109.823 -178.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.437 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 50.5 m-85 -99.73 174.04 6.41 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.511 0.724 . . . . 73.14 110.522 177.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.55 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 37.3 ttm180 -119.84 121.95 40.24 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.176 0.991 . . . . 75.53 108.942 -173.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.6 131.27 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.042 0.937 . . . . 71.43 109.853 176.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -85.09 159.71 20.12 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.47 1.108 . . . . 65.22 110.79 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.47 -43.02 1.06 Allowed Glycine 0 N--CA 1.483 1.804 0 CA-C-N 115.426 -0.807 . . . . 70.23 112.45 -168.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.443 ' HG3' ' H ' ' A' ' 112' ' ' SER . 12.5 tp10 -77.28 160.06 29.14 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.299 1.44 . . . . 75.02 107.951 161.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.8 m -116.96 -11.43 10.8 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.289 0.635 . . . . 64.44 109.697 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.443 ' H ' ' HG3' ' A' ' 110' ' ' GLU . 37.8 m -89.62 172.63 8.81 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.065 0.946 . . . . 73.42 110.895 -176.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.421 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 21.0 mt -96.4 130.63 43.49 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 107.719 -1.215 . . . . 75.12 107.719 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.1 102.2 14.51 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.128 -1.064 . . . . 74.24 108.128 -173.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 104' ' ' ALA . 12.6 t -111.68 94.92 25.5 Favored Pre-proline 0 N--CA 1.469 0.511 0 C-N-CA 123.043 0.537 . . . . 64.34 109.578 -175.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -76.81 115.81 4.12 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.094 1.863 . . . . 72.41 110.002 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -128.05 160.27 32.48 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 121.901 0.858 . . . . 70.01 111.03 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.619 HG23 ' HG2' ' A' ' 170' ' ' PRO . 11.0 p -127.75 163.18 24.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 113.738 -1.573 . . . . 73.44 107.872 172.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 4.4 p30 -161.14 -160.22 0.72 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.551 0.532 . . . . 74.44 109.971 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.89 -35.2 78.07 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.609 0.596 . . . . 75.25 112.609 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.0 p -74.56 -12.78 60.55 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 113.065 0.765 . . . . 61.23 113.065 -171.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 69.9 p -65.7 -40.91 92.77 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 109.538 -0.542 . . . . 71.45 109.538 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -73.06 -24.1 60.64 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 114.49 -1.232 . . . . 64.3 112.261 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -92.01 -20.4 21.37 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.828 -0.434 . . . . 72.54 109.828 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.48 28.13 66.27 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-N 115.932 -0.577 . . . . 62.43 114.525 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -88.3 -20.96 24.72 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.673 0.749 . . . . 73.24 109.697 171.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.3 p -125.45 -177.52 3.92 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.861 1.264 . . . . 61.25 108.71 169.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -57.12 113.41 1.7 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.69 0.796 . . . . 74.13 112.867 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -57.79 -39.08 76.69 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.18 0.992 . . . . 73.32 111.088 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -70.35 -10.58 59.42 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.435 0.694 . . . . 70.24 111.698 -175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.07 174.04 26.44 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 110.47 -1.052 . . . . 64.43 110.47 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.56 157.7 44.44 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.034 -0.728 . . . . 73.2 109.034 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.567 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 91.9 m-85 -92.55 176.13 6.57 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.442 -0.577 . . . . 74.34 109.442 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.3 tt -146.7 132.92 19.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.388 -1.708 . . . . 73.21 106.388 167.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.85 110.42 22.78 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 107.482 -1.303 . . . . 62.31 107.482 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.38 126.68 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.878 0.471 . . . . 72.53 110.21 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -87.61 116.42 66.07 Favored Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 108.373 -0.973 . . . . 53.44 108.373 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -69.72 -28.28 25.63 Favored 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.224 1.949 . . . . 71.12 112.577 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.15 29.49 4.83 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.436 1.094 . . . . 62.13 112.149 -170.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 48.82 57.49 8.56 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.664 -0.698 . . . . 53.15 114.362 -166.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.01 168.92 19.15 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.478 0.311 . . . . 75.41 110.616 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -134.78 177.01 8.13 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.146 0.578 . . . . 74.24 109.652 -173.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.03 104.8 0.64 Allowed Glycine 0 C--N 1.355 1.63 0 C-N-CA 123.757 0.694 . . . . 44.34 113.528 -173.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.14 8.27 50.83 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 113.801 0.28 . . . . 65.13 113.801 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 5' ' ' PRO . 11.6 m-20 -80.98 -170.99 2.97 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.808 -0.812 . . . . 72.52 108.808 166.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -140.46 153.44 46.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.709 0.766 . . . . 73.54 111.919 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 24.4 m -134.56 161.5 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.288 1.435 . . . . 63.24 108.834 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.96 111.84 19.62 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.887 0.475 . . . . 62.31 109.984 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.97 90.46 7.89 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.379 -1.341 . . . . 71.24 107.379 168.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 51.7 t0 -101.33 119.61 39.01 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 114.613 -1.176 . . . . 71.23 109.643 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.531 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 48.5 m-85 -80.05 -16.46 55.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.064 -0.971 . . . . 72.14 112.528 -174.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.486 HD22 HD22 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -80.2 -4.55 53.53 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 119.704 1.138 . . . . 74.33 111.179 173.255 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.486 HD22 HD22 ' A' ' 152' ' ' ASN . 3.8 mm? -92.14 8.95 35.65 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.311 0.644 . . . . 72.32 110.914 165.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.05 127.46 21.55 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 122.936 0.494 . . . . 43.14 110.889 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.567 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 83.6 t80 -99.51 153.53 18.96 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 124.282 1.033 . . . . 74.23 109.665 -170.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -96.61 123.6 53.58 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.835 1.254 . . . . 63.34 111.862 -166.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . 0.535 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 61.5 Cg_endo -75.35 126.55 9.82 Favored 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 122.022 1.814 . . . . 74.51 110.94 166.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -67.85 -22.1 65.15 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.254 0.622 . . . . 75.35 111.752 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 157' ' ' PRO . 25.6 p -57.72 -37.64 73.89 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.089 0.956 . . . . 74.2 111.415 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.29 -10.62 59.55 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.344 0.658 . . . . 72.22 111.643 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -94.04 -12.18 29.12 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.636 0.774 . . . . 65.43 110.26 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 107.15 -25.99 20.29 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 119.876 -0.402 . . . . 72.52 112.459 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -60.73 113.75 5.88 Favored Glycine 0 C--N 1.358 1.781 0 N-CA-C 110.583 -1.007 . . . . 45.33 110.583 172.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.8 m -71.41 89.81 0.94 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.428 0.691 . . . . 61.53 111.49 -167.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -124.59 148.78 47.64 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.124 0.969 . . . . 71.11 111.352 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 36.2 p -73.08 121.51 20.3 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.403 -0.817 . . . . 70.53 109.556 173.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.16 126.39 52.73 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 108.134 -1.061 . . . . 74.1 108.134 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -69.99 97.66 1.18 Allowed 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.852 0.72 . . . . 62.53 109.26 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 92.8 mt -58.64 113.6 7.04 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.05 0.94 . . . . 71.44 109.6 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.619 ' HG2' HG23 ' A' ' 118' ' ' THR . 26.3 Cg_exo -66.39 132.44 29.36 Favored 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 122.627 2.218 . . . . 74.42 112.104 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -67.74 173.78 8.55 Favored 'Trans proline' 0 C--N 1.372 1.811 0 C-N-CA 122.499 2.132 . . . . 75.42 111.867 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -59.77 -28.88 67.79 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.465 0.706 . . . . 51.53 111.694 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.61 -23.15 62.51 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.719 0.808 . . . . 52.33 111.349 177.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.455 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.5 m-20 -103.86 18.92 20.96 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.828 0.451 . . . . 61.24 111.214 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -100.39 109.14 21.29 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.751 -0.463 . . . . 73.22 109.751 172.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 26.2 t -77.02 131.39 73.07 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.011 0.924 . . . . 73.21 109.442 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -80.67 41.98 1.25 Allowed 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 123.149 2.566 . . . . 65.13 112.894 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -143.54 158.53 43.58 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.636 0.775 . . . . 71.44 110.144 -175.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -86.96 106.45 17.81 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.271 0.628 . . . . 74.32 110.147 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.0 mp -96.43 91.8 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 N-CA-C 108.361 -0.977 . . . . 63.21 108.361 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 55.0 p -96.18 65.34 2.4 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.746 0.784 . . . . 62.22 109.451 171.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.265 0 N-CA-C 108.354 -0.98 . . . . 74.13 108.354 178.646 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 CA--C 1.553 1.064 0 N-CA-C 110.442 -0.207 . . . . 73.23 110.442 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.97 126.59 18.35 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.552 2.168 . . . . 73.53 111.497 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.7 mt -175.15 -53.23 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 125.923 1.689 . . . . 75.03 108.017 -167.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -85.27 27.33 0.61 Allowed 'Trans proline' 0 C--N 1.4 3.274 0 C-N-CA 122.032 1.821 . . . . 64.11 111.956 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.66 -12.56 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.255 1.022 . . . . 62.31 111.896 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -71.79 -37.13 70.48 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 119.176 -0.44 . . . . 73.14 110.89 171.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.2 t0 86.08 154.3 0.08 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.761 1.225 . . . . 62.34 109.27 171.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -48.14 120.73 3.73 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.557 0.743 . . . . 75.01 110.947 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.08 -29.5 30.74 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 115.243 1.572 . . . . 55.31 115.243 -157.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -69.94 -45.12 68.15 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 123.084 0.554 . . . . 74.12 110.017 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -69.26 -36.28 76.96 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.529 -0.759 . . . . 55.33 110.857 176.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -60.23 -46.48 89.64 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.607 1.163 . . . . 72.24 110.371 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -58.96 -41.57 87.82 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.737 -1.119 . . . . 72.14 109.766 175.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.06 97.41 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 118.734 -0.651 . . . . 75.41 112.322 173.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 24.3 mmt180 -59.69 -48.26 82.38 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 118.399 0.545 . . . . 72.04 109.621 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.493 HG21 HD12 ' A' ' 54' ' ' ILE . 72.4 mt -63.85 -45.63 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 115.062 -0.972 . . . . 72.21 111.384 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.42 99.09 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.329 0.652 . . . . 74.31 111.029 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.17 77.46 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.615 0.766 . . . . 63.32 111.463 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -67.01 -41.88 85.91 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.616 0.766 . . . . 74.51 109.97 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -63.17 -47.36 82.97 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 115.257 -0.883 . . . . 71.34 109.954 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.68 79.32 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.572 0.749 . . . . 65.24 111.22 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.99 -59.23 5.75 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.029 0.932 . . . . 72.44 110.869 172.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -64.46 -18.06 64.41 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.293 0.637 . . . . 72.12 112.322 -179.392 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HA ' HD23 ' A' ' 49' ' ' LEU . 16.6 t70 -78.39 -53.44 7.27 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.84 1.256 . . . . 75.33 109.708 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.23 -17.44 59.5 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.014 -0.539 . . . . 74.13 111.352 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -48.52 -69.45 0.12 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.329 1.052 . . . . 73.15 111.724 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.679 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -59.99 -25.33 65.18 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.265 0.468 . . . . 64.51 112.265 -172.637 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.58 -54.1 6.8 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.118 0.567 . . . . 54.1 111.575 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p -88.64 -56.3 3.36 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.102 0.561 . . . . 71.33 111.393 -171.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -47.42 102.6 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.275 1.43 . . . . 64.43 111.92 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.39 -19.08 63.82 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.286 1.034 . . . . 73.45 112.536 -172.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -81.16 -5.88 58.21 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.499 0.72 . . . . 71.23 111.919 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.6 m -154.55 67.42 5.48 Favored Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 124.663 1.185 . . . . 44.44 108.118 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -85.65 137.66 5.84 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.327 2.018 . . . . 71.41 112.476 -174.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.5 tt -77.93 134.0 64.9 Favored Pre-proline 0 CA--C 1.554 1.107 0 N-CA-C 107.988 -1.116 . . . . 74.54 107.988 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -31.83 132.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.394 2.934 0 C-N-CA 124.853 3.702 . . . . 75.53 114.676 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -52.84 -24.09 22.84 Favored 'Trans proline' 0 C--N 1.384 2.445 0 C-N-CA 123.737 2.958 . . . . 62.51 114.15 -171.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.52 -49.38 66.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.208 0.603 . . . . 40.42 111.222 175.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -78.75 -34.92 45.33 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.649 0.78 . . . . 73.44 110.488 -177.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -57.79 -37.73 74.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.759 0.823 . . . . 72.03 110.846 170.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.01 -37.63 73.76 Favored Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.414 -0.812 . . . . 52.34 111.772 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.81 19.35 4.83 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.017 0.927 . . . . 73.24 112.146 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -73.12 103.54 3.9 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.233 0.54 . . . . 63.11 110.497 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -111.87 4.21 18.14 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.243 1.017 . . . . 60.24 108.951 171.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.86 147.13 12.16 Favored Glycine 0 C--N 1.342 0.882 0 N-CA-C 109.969 -1.252 . . . . 73.44 109.969 -167.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.582 HD21 HD21 ' A' ' 30' ' ' LEU . 2.5 mm? -80.43 169.74 17.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.405 0.682 . . . . 74.1 110.17 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' N ' ' HD2' ' A' ' 50' ' ' ARG . 3.4 mpt_? -91.81 141.89 28.17 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.527 -0.76 . . . . 65.22 109.518 -168.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -162.59 168.77 21.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.441 0.696 . . . . 74.34 110.557 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -102.9 172.32 6.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.273 1.029 . . . . 62.24 109.391 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -74.31 160.65 30.8 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.865 0.466 . . . . 71.44 110.2 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.493 HD12 HG21 ' A' ' 19' ' ' ILE . 11.5 mm -71.48 116.07 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 123.536 0.522 . . . . 75.12 109.846 -174.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -112.17 115.39 28.76 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.274 0.63 . . . . 72.14 109.837 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.72 -17.21 61.64 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.444 0.697 . . . . 63.12 112.363 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.9 m -81.48 -16.73 51.02 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.439 0.296 . . . . 70.42 110.826 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.89 -9.8 59.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.703 0.401 . . . . 71.3 111.278 169.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 11.8 ttm180 -89.69 95.29 10.19 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.089 -1.078 . . . . 74.24 108.089 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.2 m -100.22 147.17 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.279 -0.637 . . . . 73.55 109.279 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.95 112.95 21.67 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.21 -1.033 . . . . 72.4 108.21 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -105.93 129.43 54.08 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.138 -0.689 . . . . 41.31 109.138 -173.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.66 110.12 7.7 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 108.511 -0.922 . . . . 74.11 108.511 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -77.02 129.03 35.56 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 124.244 1.018 . . . . 65.43 109.643 -172.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 24.6 tt0 -133.03 103.55 12.88 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 123.752 0.821 . . . . 64.2 109.323 172.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.22 161.03 47.51 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.003 1.802 . . . . 73.02 111.782 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.04 113.1 14.39 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.253 -1.017 . . . . 60.14 108.253 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -68.82 -20.49 64.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.466 0.706 . . . . 75.44 110.983 -174.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.5 82.66 12.57 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 107.138 -1.43 . . . . 73.44 107.138 172.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.17 130.39 32.15 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.7 2.267 . . . . 64.03 112.3 -175.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -134.77 157.38 46.89 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.862 0.865 . . . . 74.42 110.725 -170.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.35 114.65 27.25 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.601 0.76 . . . . 64.22 111.231 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 19.6 m -107.07 168.44 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.573 1.149 . . . . 65.45 109.892 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -108.62 129.39 55.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.976 0.51 . . . . 74.1 110.218 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.0 139.73 49.97 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 108.093 -1.077 . . . . 71.33 108.093 171.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -66.37 150.23 49.2 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.538 -0.542 . . . . 72.42 109.538 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.1 p -125.56 153.92 42.97 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.638 -0.505 . . . . 74.44 109.638 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.561 HG23 HD11 ' A' ' 169' ' ' LEU . 22.9 p -74.28 -29.76 61.8 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.841 -0.618 . . . . 74.35 110.291 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -81.81 -24.2 36.05 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.006 0.743 . . . . 72.34 113.006 -172.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.45 -123.45 1.19 Allowed Glycine 0 C--N 1.356 1.642 0 CA-C-O 118.681 -1.066 . . . . 34.51 113.609 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.52 153.42 71.45 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 123.621 2.881 . . . . 53.35 113.428 -174.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.98 140.23 65.17 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.036 1.824 . . . . 54.15 111.886 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.97 129.33 45.27 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.136 0.974 . . . . 64.45 110.203 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 15.3 pt-20 -80.39 125.54 30.04 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 123.693 0.621 . . . . 65.01 110.495 177.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 168' ' ' ALA . 45.0 m-85 -128.94 142.82 50.81 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.518 -0.919 . . . . 74.44 108.518 174.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.8 m -85.44 139.63 31.37 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.401 -0.592 . . . . 72.31 109.401 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -75.53 116.69 16.52 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.482 -0.562 . . . . 72.42 109.482 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -86.14 -50.54 6.93 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.639 0.375 . . . . 63.23 110.875 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.53 173.55 16.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.607 0.718 . . . . 71.14 111.61 -173.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.9 t -134.48 119.08 28.48 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 125.305 1.442 . . . . 75.23 107.207 174.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.482 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.0 mm? -99.07 118.35 35.62 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.788 0.835 . . . . 73.25 110.58 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.46 116.89 4.87 Favored Glycine 0 N--CA 1.471 0.983 0 N-CA-C 110.656 -0.978 . . . . 70.3 110.656 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.599 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 52.5 p90 -143.24 -175.38 4.51 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 117.61 0.705 . . . . 71.05 110.292 -169.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -139.18 137.71 36.28 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.333 0.587 . . . . 74.04 109.703 171.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.4 tp -139.13 136.41 35.12 Favored 'General case' 0 C--O 1.249 1.038 0 C-N-CA 124.692 1.197 . . . . 72.14 108.054 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.67 -107.69 1.97 Allowed Glycine 0 C--N 1.353 1.506 0 CA-C-O 120.989 0.216 . . . . 42.31 112.953 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -117.73 -5.41 11.11 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.195 0.998 . . . . 71.45 110.251 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.6 m -115.94 132.96 56.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.002 0.521 . . . . 70.5 111.298 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -86.85 124.33 32.96 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 106.845 -1.539 . . . . 74.43 106.845 167.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -138.92 153.6 48.26 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.081 0.467 . . . . 73.44 110.558 -171.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 m -118.07 148.37 42.35 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.184 0.994 . . . . 71.32 109.016 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.599 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 6.2 tp -141.63 131.91 25.01 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.186 -0.672 . . . . 53.12 109.186 -171.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 m -87.81 127.98 35.33 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.469 0.307 . . . . 75.12 110.769 -174.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -101.9 120.84 41.04 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.541 0.737 . . . . 53.54 109.423 174.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.58 171.95 8.22 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 122.965 0.506 . . . . 70.22 109.857 175.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.569 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 39.6 ttm180 -119.85 131.56 55.32 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.401 1.08 . . . . 71.15 108.91 -175.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.21 113.4 44.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 124.573 1.149 . . . . 74.22 107.979 170.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.19 132.04 52.41 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.185 0.994 . . . . 73.02 111.583 -172.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 88.34 -21.62 24.05 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-N 115.857 -0.61 . . . . 71.32 112.637 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -97.12 129.19 44.55 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.828 0.851 . . . . 73.42 109.202 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.0 t -67.94 -24.57 65.19 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.875 1.27 . . . . 61.44 112.618 -178.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.532 ' HB3' ' HB2' ' A' ' 135' ' ' ASP . 15.2 m -90.49 143.34 26.84 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.529 0.732 . . . . 71.21 111.17 -174.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 21.1 mt -83.81 137.68 33.59 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.167 0.987 . . . . 74.43 108.93 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.56 103.97 15.86 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.605 -0.887 . . . . 61.53 108.605 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 104' ' ' ALA . 24.2 t -108.8 100.37 39.02 Favored Pre-proline 0 C--O 1.244 0.788 0 C-N-CA 124.029 0.932 . . . . 74.34 108.566 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 90.2 Cg_endo -86.96 135.01 3.81 Favored 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 122.576 2.184 . . . . 72.4 110.814 169.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -151.02 167.98 26.0 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.381 0.61 . . . . 53.15 111.416 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.8 p -137.36 171.17 14.87 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 114.414 -1.266 . . . . 75.22 107.822 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -160.53 -168.35 2.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.811 0.844 . . . . 75.21 109.985 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -67.34 -33.98 76.38 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 119.636 -0.221 . . . . 74.43 111.583 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.5 m -71.52 -37.43 71.2 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.16 0.584 . . . . 71.13 111.19 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.484 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 27.6 p -73.98 -42.1 60.95 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.143 177.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.93 -26.84 67.78 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.654 0.782 . . . . 55.3 111.303 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -75.65 -4.99 43.26 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.174 0.99 . . . . 65.33 111.183 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.4 -26.72 6.13 Favored Glycine 0 C--N 1.35 1.338 0 N-CA-C 114.705 0.642 . . . . 74.42 114.705 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -68.3 -18.93 64.64 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 112.901 0.704 . . . . 73.42 112.901 -171.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.9 p -125.95 171.68 10.55 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.419 0.687 . . . . 75.11 109.252 164.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -69.64 99.54 1.32 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.815 0.846 . . . . 73.41 112.574 -162.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.484 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 10.1 pt-20 -58.93 -30.27 67.74 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.842 1.657 . . . . 74.41 113.27 -176.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -70.0 -16.87 63.24 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.369 0.668 . . . . 71.3 111.706 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 139.55 157.42 7.28 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-O 121.194 0.33 . . . . 74.11 113.022 170.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 20.2 mtp180 -115.06 143.22 45.53 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.259 1.424 . . . . 65.54 108.04 174.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -94.4 151.33 19.47 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.715 -0.476 . . . . 73.4 109.715 169.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.2 tt -148.65 125.2 11.03 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 106.665 -1.606 . . . . 73.14 106.665 170.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.532 ' HB2' ' HB3' ' A' ' 112' ' ' SER . 4.7 p-10 -96.66 131.38 43.38 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.25 -1.019 . . . . 70.53 108.25 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.55 122.99 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 108.871 -0.789 . . . . 73.0 108.871 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.89 122.73 78.2 Favored Pre-proline 0 C--O 1.241 0.606 0 N-CA-C 106.915 -1.513 . . . . 73.35 106.915 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -62.34 -25.26 76.32 Favored 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 122.554 2.17 . . . . 75.53 113.364 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 53.13 33.04 14.23 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 124.358 1.036 . . . . 72.43 112.3 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 54.43 34.96 55.32 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 115.397 -0.819 . . . . 61.02 114.548 -173.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -74.3 158.75 33.46 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.045 0.45 . . . . 73.12 111.179 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -127.4 169.6 13.43 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.821 0.848 . . . . 73.22 108.859 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 65' ' ' GLN . . . -62.56 111.37 3.98 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 123.637 0.586 . . . . 64.35 111.766 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.46 -11.97 28.23 Favored Glycine 0 N--CA 1.471 1.017 0 CA-C-O 119.697 -0.502 . . . . 71.15 113.757 -176.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.2 -173.98 4.28 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 108.819 -0.808 . . . . 51.4 108.819 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -146.25 156.24 43.24 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.543 0.687 . . . . 60.24 111.477 174.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 28.6 m -134.08 166.6 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 114.7 -1.137 . . . . 64.13 109.748 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.41 110.87 20.01 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.931 0.493 . . . . 51.4 110.844 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.32 86.93 3.29 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 108.361 -0.977 . . . . 43.21 108.361 170.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 27.7 t70 -90.13 106.82 18.74 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.796 -0.816 . . . . 50.03 108.796 172.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.589 ' HB3' HG21 ' A' ' 180' ' ' ILE . 39.5 m-85 -73.32 -14.61 61.33 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.818 -1.083 . . . . 75.32 111.283 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.32 -21.41 61.99 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 123.333 0.653 . . . . 73.24 111.588 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 19' ' ' ILE . 3.2 mm? -72.18 -26.75 62.19 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 118.84 -0.6 . . . . 75.12 111.533 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.448 ' HB3' HH21 ' A' ' 132' ' ' ARG . . . -45.61 118.31 1.74 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.46 1.104 . . . . 75.12 113.609 -164.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -100.93 165.81 11.15 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 125.239 1.415 . . . . 72.11 109.938 -170.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -102.69 126.36 33.05 Favored Pre-proline 0 CA--C 1.551 0.999 0 CA-C-N 114.499 -1.228 . . . . 71.12 108.536 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.38 142.65 68.81 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.818 2.345 . . . . 71.12 112.681 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.473 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 68.4 m-85 -74.35 -3.93 33.3 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 113.558 0.947 . . . . 75.05 113.558 -172.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 49.3 t -68.02 -26.25 65.79 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.403 0.681 . . . . 71.43 111.007 167.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -81.76 -18.86 42.73 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.892 0.477 . . . . 74.22 112.029 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 33.1 m-85 -85.88 -11.09 54.15 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.027 0.531 . . . . 65.24 111.521 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.12 -17.87 0.05 OUTLIER Glycine 0 C--N 1.35 1.338 0 N-CA-C 114.758 0.663 . . . . 63.14 114.758 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 96.55 42.91 3.29 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 111.13 -0.788 . . . . 71.01 111.13 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 51.1 m -133.23 68.88 1.49 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.479 0.712 . . . . 63.15 109.563 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.23 152.69 0.11 Allowed 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 125.504 1.522 . . . . 54.41 109.003 176.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 39.5 m -114.77 96.26 5.64 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 107.708 -1.219 . . . . 74.31 107.708 172.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 15.8 p -89.69 141.47 28.58 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.904 -0.406 . . . . 71.52 109.904 -164.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.414 ' HB2' ' CE1' ' A' ' 85' ' ' TYR . . . -80.07 93.25 5.74 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.531 0.732 . . . . 54.12 109.642 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.561 HD11 HG23 ' A' ' 78' ' ' THR . 8.2 mp -60.29 125.58 82.04 Favored Pre-proline 0 N--CA 1.475 0.804 0 N-CA-C 108.874 -0.787 . . . . 63.53 108.874 175.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -65.86 150.89 85.48 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.214 1.943 . . . . 52.51 111.805 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -63.35 161.42 30.99 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.072 1.848 . . . . 74.21 111.196 170.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -52.08 -31.56 30.94 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.033 0.933 . . . . 73.53 112.725 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -69.21 -21.49 63.94 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.065 0.946 . . . . 74.44 112.549 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.18 28.87 1.77 Allowed 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.156 0.503 . . . . 75.2 111.209 -175.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -93.16 110.81 22.32 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.774 0.83 . . . . 71.2 108.974 168.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.6 127.52 84.14 Favored Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 108.279 -1.008 . . . . 75.12 108.279 173.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -78.61 46.0 2.03 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 123.099 2.533 . . . . 42.14 112.476 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -143.16 155.0 44.46 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 124.239 1.015 . . . . 70.4 109.247 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.99 110.54 21.51 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.317 0.647 . . . . 72.4 109.946 175.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.5 mp -106.8 85.2 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 106.324 -1.732 . . . . 64.21 106.324 177.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.94 83.04 8.19 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.392 -0.822 . . . . 64.42 110.321 -174.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.729 0 C-N-CA 124.01 0.924 . . . . 64.14 108.989 175.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.4 tt . . . . . 0 CA--C 1.568 1.672 0 N-CA-C 110.269 -0.271 . . . . 44.14 110.269 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.56 127.98 9.21 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.599 2.199 . . . . 74.33 110.293 170.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mt -176.36 -51.09 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 125.99 1.716 . . . . 62.15 108.07 -170.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -80.83 22.53 0.78 Allowed 'Trans proline' 0 C--N 1.399 3.218 0 C-N-CA 122.206 1.937 . . . . 64.4 112.461 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.89 -28.43 44.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 C-N-CA 124.573 1.149 . . . . 65.31 111.32 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -79.2 91.58 4.99 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.576 0.75 . . . . 64.33 110.24 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -29.67 140.91 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.606 1.562 . . . . 71.44 113.924 168.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.0 t -49.76 138.37 14.71 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 123.743 0.652 . . . . 70.14 109.961 170.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -42.05 -37.86 1.5 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 125.019 1.328 . . . . 62.23 114.023 -169.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.66 -55.54 25.98 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.608 0.763 . . . . 74.42 110.499 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -67.33 -28.37 67.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.899 0.879 . . . . 74.43 111.496 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.516 ' O ' HG13 ' A' ' 19' ' ' ILE . 34.9 t90 -69.55 -50.66 42.67 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.182 0.993 . . . . 72.32 109.765 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.446 ' HA ' HD12 ' A' ' 19' ' ' ILE . 56.6 mtt180 -69.84 -28.1 65.4 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.069 -0.514 . . . . 74.34 110.84 177.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.23 96.4 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 118.898 -0.573 . . . . 64.2 111.077 168.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 29.2 mmt180 -58.15 -52.33 66.01 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 109.589 -0.522 . . . . 73.35 109.589 174.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 15' ' ' TRP . 13.1 mt -57.35 -53.99 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 124.329 1.018 . . . . 63.42 111.266 -176.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.79 86.97 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 124.359 1.037 . . . . 52.4 111.726 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.89 -34.12 68.9 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.039 0.535 . . . . 42.15 111.935 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -74.19 -33.68 63.5 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.309 0.644 . . . . 64.31 110.199 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -69.11 -45.42 70.26 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 123.541 0.736 . . . . 71.12 109.116 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.2 96.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.663 0.785 . . . . 73.31 110.568 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.66 -60.23 3.73 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.735 -1.121 . . . . 73.34 110.37 173.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.605 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 41.3 mmtm -70.15 -12.92 61.94 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.359 0.664 . . . . 64.34 112.645 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.565 ' HA ' HD23 ' A' ' 49' ' ' LEU . 26.3 t70 -71.4 -53.22 14.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.246 0.618 . . . . 75.44 110.381 170.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -82.89 -14.06 54.92 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.398 -0.364 . . . . 74.45 111.908 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -56.15 -59.82 4.38 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.411 1.085 . . . . 72.13 112.225 -175.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.35 -9.59 58.76 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.332 0.494 . . . . 74.33 112.332 -175.557 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.29 -48.94 6.2 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.43 0.692 . . . . 74.13 111.39 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.9 p -113.44 -55.5 2.51 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.61 0.764 . . . . 71.13 110.965 -169.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.419 ' HB3' ' NE2' ' A' ' 35' ' ' GLN . 29.0 m-70 -57.87 123.62 16.39 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 115.188 -0.915 . . . . 73.23 111.367 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.98 -8.57 38.37 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.683 1.193 . . . . 64.21 113.738 -172.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 33' ' ' HIS . 2.4 mp0 -67.68 -28.85 68.04 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.174 0.99 . . . . 53.31 112.299 -169.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 66.1 m -154.26 136.38 9.49 Favored Pre-proline 0 N--CA 1.48 1.026 0 N-CA-C 107.89 -1.152 . . . . 73.12 107.89 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -91.31 159.49 3.73 Favored 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 122.519 2.146 . . . . 54.54 112.28 173.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.545 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 15.4 tt -106.88 144.11 28.43 Favored Pre-proline 0 CA--C 1.554 1.115 0 N-CA-C 106.902 -1.518 . . . . 72.41 106.902 165.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -54.28 142.67 67.64 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 121.977 1.785 . . . . 75.24 112.319 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.38 -26.02 81.72 Favored 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 123.302 2.668 . . . . 75.22 113.443 -171.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.41 90.4 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.517 0.727 . . . . 53.05 110.872 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.81 -30.45 51.22 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.609 0.764 . . . . 73.45 110.475 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HB2' HG23 ' A' ' 38' ' ' ILE . 65.2 ttt180 -68.39 -32.52 72.65 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.292 0.637 . . . . 75.3 111.33 175.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.04 -44.47 45.33 Favored Glycine 0 C--N 1.348 1.216 0 N-CA-C 111.43 -0.668 . . . . 71.32 111.43 173.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.43 28.7 1.07 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.001 0.921 . . . . 62.32 111.735 175.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -77.32 101.13 6.16 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.148 0.499 . . . . 55.11 110.305 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -92.65 -50.18 5.73 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.648 -0.871 . . . . 75.22 108.648 168.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 174.12 178.65 44.2 Favored Glycine 0 C--O 1.244 0.767 0 CA-C-N 114.479 -1.237 . . . . 32.44 112.186 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 30' ' ' LEU . 4.4 mm? -99.36 158.82 15.45 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.094 0.558 . . . . 75.22 111.156 177.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -98.23 121.02 39.65 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.148 -0.933 . . . . 54.31 110.958 -166.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -126.9 146.3 50.35 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.726 -1.213 . . . . 75.11 107.726 168.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -101.15 175.03 5.73 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.535 0.734 . . . . 70.14 110.043 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.52 134.63 56.66 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.812 0.695 . . . . 75.13 110.791 -170.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.425 HG21 ' HG2' ' A' ' 16' ' ' ARG . 38.2 mm -67.58 133.81 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 C-N-CA 124.24 1.016 . . . . 74.41 110.905 -172.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -150.81 118.96 6.3 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.746 0.308 . . . . 74.01 111.204 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.89 -11.72 59.79 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.268 1.027 . . . . 70.42 113.169 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.0 m -79.01 -25.74 43.28 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 110.253 -0.277 . . . . 72.22 110.253 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -75.62 2.71 11.14 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.296 0.638 . . . . 64.14 112.464 172.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.54 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 32.9 ttm180 -91.37 108.17 19.7 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.134 -1.061 . . . . 53.1 108.134 171.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.5 m -100.37 145.5 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 108.775 -0.824 . . . . 73.04 108.775 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.4 123.54 33.05 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.704 -1.221 . . . . 70.41 107.704 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.84 137.56 51.48 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.668 -0.493 . . . . 73.21 109.668 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.01 115.14 13.13 Favored 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.118 0.886 . . . . 74.01 108.811 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.448 ' HA ' HD13 ' A' ' 91' ' ' LEU . 35.6 t80 -81.91 113.65 19.98 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 123.962 0.905 . . . . 73.44 109.39 -176.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -113.96 104.59 54.94 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 107.94 -1.133 . . . . 52.01 107.94 170.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.5 151.5 79.8 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.141 1.894 . . . . 65.12 111.255 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.73 100.54 2.87 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.39 -1.337 . . . . 62.01 107.39 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -56.56 -20.03 18.71 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.041 0.936 . . . . 64.13 111.93 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -141.75 93.39 7.62 Favored Pre-proline 0 CA--C 1.551 0.995 0 N-CA-C 107.367 -1.345 . . . . 64.3 107.367 168.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.86 127.61 19.02 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.752 2.302 . . . . 75.55 111.922 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -132.39 153.81 50.42 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.262 0.625 . . . . 70.14 109.804 -173.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.99 135.17 36.83 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.598 0.759 . . . . 64.31 110.38 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 85' ' ' TYR . 5.1 m -132.88 164.23 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.034 1.334 . . . . 73.12 108.756 -177.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -108.38 130.18 55.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.254 0.622 . . . . 42.33 109.483 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -116.29 122.69 45.7 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.286 -1.375 . . . . 54.23 107.286 167.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HB2' HD12 ' A' ' 169' ' ' LEU . 46.1 mt-10 -64.58 156.81 28.73 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.783 0.433 . . . . 62.33 110.315 -176.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.0 p -119.68 151.78 38.19 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.42 0.555 . . . . 53.21 109.545 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.3 p -66.34 -25.99 67.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.39 0.676 . . . . 75.25 110.925 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -90.72 -7.89 51.32 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.555 0.742 . . . . 73.51 111.436 -175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.38 -119.02 1.71 Allowed Glycine 0 C--N 1.353 1.504 0 CA-C-O 118.754 -1.025 . . . . 70.4 113.08 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 13.1 Cg_endo -51.26 133.91 43.13 Favored 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 125.001 3.801 . . . . 64.24 113.78 -171.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 25.4 Cg_exo -63.72 141.45 79.09 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 123.029 2.486 . . . . 73.14 113.601 -176.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.18 117.17 24.83 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.854 1.262 . . . . 73.34 108.907 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.91 125.51 32.71 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.336 0.654 . . . . 73.35 110.594 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.508 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 70.0 m-85 -133.56 150.67 51.64 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.623 0.769 . . . . 73.25 109.392 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.3 m -89.37 130.64 35.71 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.561 -0.903 . . . . 71.42 108.561 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -74.95 115.92 15.1 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.751 0.705 . . . . 75.0 109.134 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.624 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -97.81 -35.9 10.37 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.927 0.891 . . . . 52.41 111.764 -176.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.18 170.02 21.56 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.98 0.512 . . . . 74.53 110.465 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.496 HG12 HG22 ' A' ' 101' ' ' THR . 7.6 t -136.79 112.07 11.1 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 N-CA-C 107.205 -1.406 . . . . 65.53 107.205 175.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 64' ' ' TYR . 3.5 mm? -93.4 127.57 39.07 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.076 0.95 . . . . 75.11 110.388 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -118.62 127.5 7.29 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-O 119.617 -0.546 . . . . 74.22 111.873 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -152.24 170.77 19.21 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 117.591 0.696 . . . . 74.43 110.268 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.555 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 6.0 p-10 -116.78 144.39 44.53 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.096 -0.705 . . . . 74.13 109.096 170.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.51 133.53 42.3 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 106.922 -1.51 . . . . 74.5 106.922 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.91 -104.77 0.71 Allowed Glycine 0 C--N 1.355 1.585 0 CA-C-O 121.008 0.227 . . . . 74.23 113.215 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -114.8 -7.04 12.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.612 0.765 . . . . 51.32 111.607 -175.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.441 ' HB2' ' HG3' ' A' ' 177' ' ' PRO . 68.6 m -137.21 155.46 49.49 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.692 0.758 . . . . 44.32 112.409 -173.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 6.3 p80 -105.13 138.11 41.84 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.884 -1.053 . . . . 74.14 110.406 -177.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -139.57 153.57 47.43 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.115 0.966 . . . . 72.3 109.782 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.496 HG22 HG12 ' A' ' 90' ' ' VAL . 10.4 m -128.3 116.12 19.34 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 114.995 -1.002 . . . . 73.54 108.668 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 mp -103.18 141.0 36.62 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.942 1.297 . . . . 71.54 109.433 -173.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 15.0 m -91.41 130.73 37.21 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 110.042 -0.355 . . . . 63.43 110.042 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.03 129.67 48.39 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.535 1.134 . . . . 75.43 109.513 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.508 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 65.7 m-85 -107.82 145.55 33.46 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.569 0.748 . . . . 72.1 110.921 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.624 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 52.1 ttt180 -91.51 121.05 32.86 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 125.378 1.471 . . . . 61.14 108.281 173.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.623 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 17.0 t -95.01 127.2 47.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 108.288 -1.005 . . . . 23.11 108.288 175.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -53.39 115.3 1.85 Allowed 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 124.36 1.064 . . . . 71.12 112.428 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 88.44 -7.27 82.19 Favored Glycine 0 N--CA 1.473 1.112 0 CA-C-N 115.774 -0.648 . . . . 70.43 113.511 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.623 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 13.7 tp10 -103.59 129.7 50.89 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.833 0.853 . . . . 74.41 109.729 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.6 m -70.9 -27.84 64.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.328 1.051 . . . . 60.14 112.569 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.7 m -90.42 141.86 28.31 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.385 0.674 . . . . 64.15 110.561 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.2 mt -81.21 144.84 31.31 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.095 0.958 . . . . 64.42 109.293 175.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -100.44 109.31 21.45 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.644 -1.243 . . . . 73.13 107.644 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.0 90.93 5.8 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 107.543 -1.28 . . . . 73.31 107.543 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.477 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 61.4 Cg_endo -72.81 132.6 18.77 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 121.972 1.781 . . . . 52.13 110.105 176.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -152.58 167.52 28.58 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.447 0.641 . . . . 71.21 111.666 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.456 HG23 ' HG3' ' A' ' 170' ' ' PRO . 15.1 p -134.27 149.41 50.92 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.01 -1.45 . . . . 64.34 109.553 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -112.56 -176.6 2.95 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.131 -1.063 . . . . 72.41 108.131 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 179' ' ' ALA . 28.2 mm-40 -63.37 -17.58 62.77 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 122.255 0.222 . . . . 74.33 111.048 167.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 76.8 p -54.94 -27.33 42.7 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.951 1.301 . . . . 75.14 112.408 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 71.4 p -70.69 -49.82 43.04 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.794 0.838 . . . . 73.1 110.642 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.59 -31.16 71.93 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.354 1.061 . . . . 73.45 110.886 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.38 -33.08 74.77 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.685 1.194 . . . . 64.04 111.842 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.07 -43.86 1.72 Allowed Glycine 0 C--N 1.349 1.258 0 CA-C-O 119.216 -0.769 . . . . 71.11 114.761 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -54.98 -45.97 75.07 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 124.112 0.965 . . . . 75.2 112.991 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 128' ' ' TYR . 1.3 m -89.23 -174.95 4.61 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 114.926 -1.034 . . . . 70.5 109.264 -174.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.464 ' H ' HG22 ' A' ' 127' ' ' THR . 26.3 p90 -46.77 143.84 2.63 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.332 1.053 . . . . 74.54 111.998 172.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -86.53 -51.13 6.36 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.93 0.492 . . . . 74.43 109.673 167.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.428 ' HE1' ' HB2' ' A' ' 159' ' ' CYS . 10.4 p-80 -70.12 -24.36 63.18 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.212 0.819 . . . . 72.3 113.212 -164.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.27 -177.02 16.88 Favored Glycine 0 C--N 1.34 0.781 0 CA-C-O 121.751 0.639 . . . . 34.24 113.446 -175.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.477 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 30.6 ptt180 -142.1 -176.29 4.75 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.143 -1.428 . . . . 65.12 107.143 172.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 94.4 m-85 -113.52 173.44 6.41 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 123.447 0.699 . . . . 75.4 110.512 173.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.458 HD22 HG22 ' A' ' 136' ' ' VAL . 1.6 tt -132.83 119.76 20.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.222 -2.14 . . . . 63.51 105.222 164.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -90.88 99.74 12.72 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.322 -1.362 . . . . 74.34 107.322 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.458 HG22 HD22 ' A' ' 134' ' ' LEU . 57.2 t -100.54 124.35 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 114.69 -1.141 . . . . 65.31 109.291 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -85.58 107.49 12.65 Favored Pre-proline 0 C--O 1.241 0.61 0 N-CA-C 105.975 -1.861 . . . . 74.42 105.975 171.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.22 -23.53 66.21 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.338 2.026 . . . . 72.4 112.346 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 52.18 36.17 18.56 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 124.405 1.082 . . . . 43.33 111.894 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 50.73 50.13 38.36 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.71 0.631 . . . . 63.13 114.378 -171.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -71.97 168.4 18.1 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.437 0.695 . . . . 71.21 112.041 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -143.96 170.05 16.66 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.972 0.509 . . . . 74.11 110.29 -174.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.8 115.26 6.59 Favored Glycine 0 C--N 1.354 1.535 0 C-N-CA 123.727 0.679 . . . . 74.24 113.639 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.69 -1.71 60.06 Favored Glycine 0 N--CA 1.467 0.766 0 O-C-N 123.818 0.363 . . . . 52.54 112.856 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -82.63 -172.75 4.24 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.47 -0.937 . . . . 74.42 108.47 169.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -144.03 155.01 43.84 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.176 0.512 . . . . 72.5 111.508 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 35.5 m -134.98 161.4 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.054 0.942 . . . . 74.15 109.764 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.23 108.32 14.77 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.479 0.712 . . . . 74.22 110.981 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.74 91.94 6.32 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 108.208 -1.034 . . . . 73.31 108.208 170.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.54 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 9.1 t0 -97.35 110.49 23.03 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.688 -0.687 . . . . 60.33 109.395 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.431 ' HB3' HG21 ' A' ' 180' ' ' ILE . 17.4 m-85 -80.19 -18.33 49.93 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.488 0.715 . . . . 72.32 111.675 -177.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.607 ' HA ' ' HB1' ' A' ' 182' ' ' ALA . 28.5 t-20 -74.33 -36.01 63.65 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.435 -0.58 . . . . 53.11 109.435 173.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' A' ' 19' ' ' ILE . 8.7 mp -95.74 10.94 35.25 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 114.994 -1.003 . . . . 74.22 111.619 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -53.73 150.73 6.94 Favored 'General case' 0 C--O 1.243 0.715 0 O-C-N 124.017 0.823 . . . . 74.11 111.195 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.605 ' HE1' ' HE2' ' A' ' 26' ' ' LYS . 67.7 t80 -95.39 137.02 35.02 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 108.004 -1.11 . . . . 73.41 108.004 -172.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.49 ' HA ' ' HD3' ' A' ' 157' ' ' PRO . 45.3 m-80 -118.24 131.11 24.35 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 122.556 0.342 . . . . 74.52 111.245 -167.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 156' ' ' ASN . 10.7 Cg_exo -73.79 163.55 36.86 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 123.564 2.843 . . . . 73.23 112.596 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -86.15 -4.16 59.11 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.618 0.767 . . . . 64.24 112.723 -171.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . 0.428 ' HB2' ' HE1' ' A' ' 130' ' ' HIS . 15.5 m -62.0 -34.45 76.21 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.748 1.018 . . . . 73.53 113.748 -171.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -78.72 10.3 3.4 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 112.938 0.718 . . . . 65.51 112.938 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -90.67 8.05 36.36 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 109.666 -0.494 . . . . 63.41 109.666 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.81 -40.08 2.54 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 111.281 -0.728 . . . . 63.25 111.281 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -66.15 148.64 51.02 Favored Glycine 0 C--N 1.349 1.268 0 N-CA-C 111.931 -0.468 . . . . 62.35 111.931 169.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 13.1 m -100.74 92.71 5.21 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.057 -1.09 . . . . 75.23 108.057 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -97.8 155.34 17.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.114 0.566 . . . . 51.2 110.563 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 33.2 p -76.97 132.1 38.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.224 0.61 . . . . 73.11 109.974 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 10.4 p -144.34 126.35 15.46 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.604 0.762 . . . . 73.02 109.375 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -68.87 113.02 5.92 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.802 0.841 . . . . 73.33 110.299 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 76' ' ' GLU . 97.4 mt -62.71 141.54 97.08 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.45 1.1 . . . . 73.31 110.868 178.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.456 ' HG3' HG23 ' A' ' 118' ' ' THR . 37.0 Cg_endo -64.81 148.47 90.03 Favored 'Trans proline' 0 C--N 1.368 1.573 0 C-N-CA 122.678 2.252 . . . . 75.11 112.447 175.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.77 148.41 22.16 Favored 'Trans proline' 0 C--N 1.371 1.747 0 C-N-CA 122.652 2.235 . . . . 73.24 111.912 162.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -43.05 -35.21 1.2 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.382 1.623 . . . . 74.33 115.382 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -92.99 -2.11 56.06 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.305 0.574 . . . . 70.33 111.884 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -85.66 16.84 3.64 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 121.795 0.807 . . . . 61.35 110.633 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -93.74 114.41 26.69 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.03 -1.1 . . . . 70.43 108.03 167.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 33.8 m -81.47 143.12 50.93 Favored Pre-proline 0 CA--C 1.553 1.062 0 N-CA-C 109.054 -0.721 . . . . 44.33 109.054 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.441 ' HG3' ' HB2' ' A' ' 98' ' ' SER . 44.9 Cg_endo -87.53 38.83 0.53 Allowed 'Trans proline' 0 C--N 1.372 1.775 0 C-N-CA 123.091 2.527 . . . . 74.35 112.112 -174.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -150.52 147.36 27.38 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 124.518 1.127 . . . . 64.44 108.722 -172.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 120' ' ' GLU . . . -90.94 124.18 35.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.762 -0.829 . . . . 72.0 108.762 175.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -113.58 92.15 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 107.435 -1.32 . . . . 54.02 107.435 178.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 22.7 p -84.9 80.55 9.24 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 122.028 0.918 . . . . 72.02 108.655 173.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 152' ' ' ASN . . . . . . . . 0 N--CA 1.474 0.749 0 CA-C-N 113.588 -1.642 . . . . 72.23 107.821 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.67 -0.493 . . . . 70.15 109.67 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.6 127.7 22.47 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 121.88 1.72 . . . . 71.42 110.757 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mt -177.46 -51.65 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.112 0 C-N-CA 125.932 1.693 . . . . 65.23 107.997 -171.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -83.19 33.84 0.53 Allowed 'Trans proline' 0 C--N 1.403 3.403 0 C-N-CA 122.043 1.828 . . . . 75.12 111.814 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 137' ' ' ASP . 33.4 m -61.48 -29.96 47.11 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 C-N-CA 123.902 0.881 . . . . 73.45 110.538 171.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 t -91.48 39.41 1.0 Allowed 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.303 1.041 . . . . 71.43 110.167 173.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 48.73 -158.88 0.06 Allowed 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.06 1.133 . . . . 65.54 114.06 -173.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -112.76 155.43 24.59 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.768 -1.567 . . . . 63.35 106.768 168.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -38.31 -47.46 1.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.875 1.806 . . . . 64.24 115.875 -165.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.11 -52.0 27.13 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.876 0.37 . . . . 71.53 110.925 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -63.76 -28.3 69.78 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.418 -0.81 . . . . 72.21 111.886 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.479 ' O ' HG13 ' A' ' 19' ' ' ILE . 19.8 t90 -72.22 -48.39 43.27 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.796 1.239 . . . . 74.15 109.991 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -63.08 -35.7 81.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.74 0.416 . . . . 63.33 110.567 174.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.15 93.31 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.703 0.401 . . . . 71.22 111.586 170.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 29.9 mmt180 -59.42 -51.04 71.59 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 123.479 0.487 . . . . 72.44 110.459 176.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.49 HG21 HD12 ' A' ' 54' ' ' ILE . 10.3 mt -61.37 -55.34 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 123.781 0.676 . . . . 62.25 110.132 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.97 -56.17 17.99 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.017 0.927 . . . . 73.34 111.587 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -52.98 58.36 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.557 0.536 . . . . 70.43 111.711 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -72.25 -34.05 67.96 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.3 0.64 . . . . 63.42 111.637 -171.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -85.91 -28.71 24.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.668 0.387 . . . . 73.3 110.846 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.04 68.94 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 120.891 0.377 . . . . 72.3 109.993 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.26 -45.25 94.12 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 115.509 -0.769 . . . . 73.35 109.642 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -66.05 -36.36 83.03 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.548 -0.751 . . . . 51.12 110.112 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.24 -44.85 94.04 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.081 0.953 . . . . 53.22 111.279 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.42 -22.34 38.29 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 119.32 -0.371 . . . . 64.4 111.212 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -51.03 -56.22 13.6 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.133 0.973 . . . . 73.22 112.848 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.67 -16.53 61.21 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.384 0.512 . . . . 42.41 112.384 -176.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.77 -40.97 15.49 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.952 0.501 . . . . 73.13 111.038 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.5 p -100.89 -56.71 2.26 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 123.224 0.61 . . . . 62.21 111.395 -174.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -66.81 143.9 56.62 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.319 0.581 . . . . 64.24 112.195 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -87.33 -9.36 55.09 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.724 -1.126 . . . . 34.44 111.045 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -62.31 -38.58 89.96 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.05 0.94 . . . . 73.13 112.123 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -154.82 71.89 5.89 Favored Pre-proline 0 N--CA 1.477 0.907 0 N-CA-C 107.61 -1.256 . . . . 62.11 107.61 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -86.27 165.08 9.71 Favored 'Trans proline' 0 C--N 1.368 1.592 0 C-N-CA 122.339 2.026 . . . . 71.11 112.713 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.411 HG13 ' HB2' ' A' ' 30' ' ' LEU . 47.9 mt -78.69 134.91 60.52 Favored Pre-proline 0 CA--C 1.549 0.917 0 N-CA-C 106.815 -1.55 . . . . 73.55 106.815 167.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -39.9 134.24 1.71 Allowed 'Trans proline' 0 C--N 1.387 2.602 0 C-N-CA 123.686 2.924 . . . . 74.43 113.169 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -45.07 -44.7 15.03 Favored 'Trans proline' 0 C--N 1.387 2.56 0 C-N-CA 124.37 3.38 . . . . 72.23 115.362 -164.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.48 -43.36 73.36 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.84 0.456 . . . . 73.05 111.041 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.13 -29.5 64.12 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.053 0.941 . . . . 75.23 111.146 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -68.34 -25.5 65.13 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.751 0.821 . . . . 65.52 111.108 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.81 -35.11 84.48 Favored Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.765 -0.652 . . . . 74.14 111.755 172.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.3 10.09 11.4 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.779 0.832 . . . . 72.31 112.815 176.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -78.53 112.1 15.24 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.959 0.409 . . . . 62.54 110.195 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.05 -34.3 10.13 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.726 0.81 . . . . 61.33 110.184 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.99 147.65 5.11 Favored Glycine 0 C--N 1.342 0.867 0 N-CA-C 110.369 -1.092 . . . . 52.1 110.369 -172.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 30' ' ' LEU . 65.8 mt -73.24 163.05 28.67 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.747 0.784 . . . . 64.52 111.91 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -88.72 117.92 28.04 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.494 -1.669 . . . . 72.5 106.494 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -127.44 150.39 49.67 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 122.837 0.455 . . . . 73.53 109.775 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -87.05 153.69 21.34 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 107.986 -1.116 . . . . 63.31 107.986 165.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -74.09 162.79 28.63 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 108.458 -0.942 . . . . 53.04 108.458 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.58 HG23 HD21 ' A' ' 152' ' ' ASN . 23.9 mm -63.56 112.89 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.199 0.599 . . . . 54.02 110.02 -170.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -103.88 126.81 51.27 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.009 0.523 . . . . 54.24 111.29 -170.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HA ' ' NH2' ' A' ' 59' ' ' ARG . . . -81.62 -32.86 31.76 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.994 0.917 . . . . 61.34 111.99 174.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.8 t -63.98 -32.28 73.76 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.189 0.996 . . . . 73.43 113.222 -166.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.449 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 64.3 m-85 -99.2 27.06 5.37 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.795 0.838 . . . . 74.25 112.075 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.478 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 30.0 ttm180 -97.75 93.71 6.53 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.855 -0.794 . . . . 74.22 108.855 171.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.3 m -100.24 166.62 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 109.501 -0.555 . . . . 74.55 109.501 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.03 122.46 45.25 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.464 -0.939 . . . . 73.11 108.464 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.7 138.65 47.99 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.449 0.7 . . . . 43.14 109.544 -172.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -74.54 125.76 29.32 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.555 -0.906 . . . . 74.15 108.555 175.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -89.89 126.78 35.84 Favored 'General case' 0 C--O 1.247 0.95 0 C-N-CA 124.294 1.038 . . . . 61.45 109.278 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -133.38 106.54 12.11 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.04 0.936 . . . . 75.14 109.003 172.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 74.1 Cg_endo -71.42 158.13 54.87 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.249 1.966 . . . . 72.45 111.229 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.64 103.56 12.24 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.095 -0.706 . . . . 63.21 109.095 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -67.77 -22.23 65.21 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.416 0.687 . . . . 72.44 110.51 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -121.27 82.7 38.66 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 124.518 1.127 . . . . 64.31 108.137 169.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.56 123.64 8.26 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 122.32 2.013 . . . . 70.2 112.207 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -125.12 154.43 41.46 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.714 0.806 . . . . 65.44 109.694 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 84' ' ' GLU . . . -85.46 128.25 34.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.849 -0.797 . . . . 73.13 108.849 174.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.48 152.09 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 108.494 -0.928 . . . . 71.31 108.494 175.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -95.87 121.16 37.32 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.431 -0.581 . . . . 72.44 109.431 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -118.68 118.39 31.5 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 106.822 -1.547 . . . . 74.43 106.822 170.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.2 153.4 18.43 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 109.673 -0.491 . . . . 65.35 109.673 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.9 p -107.1 152.52 23.93 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.638 -0.875 . . . . 73.32 108.638 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.0 p -68.85 -19.91 64.27 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.056 0.542 . . . . 74.02 111.294 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -82.67 -23.54 34.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.842 0.857 . . . . 71.11 111.374 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.85 -120.5 1.23 Allowed Glycine 0 C--N 1.351 1.403 0 CA-C-O 118.76 -1.022 . . . . 35.24 113.09 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -48.98 140.98 23.03 Favored 'Trans proline' 0 C--N 1.391 2.774 0 C-N-CA 124.966 3.777 . . . . 62.2 114.054 -170.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.98 161.63 43.35 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.75 2.3 . . . . 71.52 113.485 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.67 129.94 51.88 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 125.187 1.395 . . . . 74.51 108.983 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' HB3' ' HB1' ' A' ' 72' ' ' ALA . 39.6 mt-10 -88.58 126.39 35.26 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.159 0.583 . . . . 50.43 109.745 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.443 ' CD1' HD23 ' A' ' 75' ' ' LEU . 26.6 m-85 -122.76 134.42 54.44 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.257 -1.016 . . . . 71.02 108.257 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 90.2 m -84.18 138.8 32.8 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.336 -0.616 . . . . 73.32 109.336 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -72.58 109.91 6.58 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.121 -1.066 . . . . 72.34 108.121 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -84.3 -46.86 11.35 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.523 0.677 . . . . 74.01 109.971 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -155.28 166.97 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.441 -1.254 . . . . 61.23 109.938 -175.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.6 t -131.07 126.59 59.65 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 N-CA-C 107.126 -1.435 . . . . 72.42 107.126 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 104' ' ' ALA . 2.2 mm? -105.08 125.45 50.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.2 1.0 . . . . 55.34 110.086 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.06 122.61 6.79 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 110.564 -1.014 . . . . 74.11 110.564 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -142.9 -176.4 4.88 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.916 0.858 . . . . 72.04 110.3 -175.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -132.19 156.45 46.42 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.706 0.802 . . . . 53.41 109.317 174.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 tp -169.56 131.53 1.14 Allowed 'General case' 0 C--O 1.251 1.148 0 N-CA-C 108.73 -0.841 . . . . 74.21 108.73 -169.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.01 -102.86 1.2 Allowed Glycine 0 C--N 1.351 1.4 0 N-CA-C 112.106 -0.397 . . . . 34.03 112.106 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -124.46 -1.81 8.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.839 0.855 . . . . 74.45 110.401 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.1 m -130.01 157.18 43.06 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.977 0.894 . . . . 61.03 112.626 -168.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -94.89 119.77 34.0 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 114.032 -1.44 . . . . 72.31 108.264 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -118.97 155.98 30.4 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.61 0.764 . . . . 64.11 109.383 -172.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.4 m -128.11 131.37 49.02 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.019 0.528 . . . . 75.14 110.091 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 mp -121.55 132.02 54.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.104 1.361 . . . . 74.2 108.221 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.6 m -95.25 134.24 38.22 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.067 0.461 . . . . 73.33 110.19 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -98.53 121.87 41.02 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 124.416 1.086 . . . . 72.22 108.912 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -100.82 152.74 20.16 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.758 0.789 . . . . 72.24 112.061 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.436 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 42.0 ttt180 -95.37 118.58 32.36 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 125.781 1.632 . . . . 74.54 108.026 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.2 t -114.69 129.42 70.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 C-N-CA 124.242 1.017 . . . . 54.04 108.611 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -63.24 142.63 58.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.214 0.606 . . . . 65.31 110.807 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.18 -39.18 2.25 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-N 116.277 -0.42 . . . . 64.03 113.288 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -64.57 151.7 43.95 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.233 1.013 . . . . 71.24 110.525 176.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.7 t -109.54 -20.66 12.79 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.833 0.853 . . . . 72.52 109.469 -174.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.4 m -103.91 -179.15 3.87 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.193 0.997 . . . . 42.5 110.062 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.601 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 49.9 mt -102.95 134.89 45.63 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.459 -0.941 . . . . 71.44 108.459 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.48 108.14 20.08 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.09 -1.078 . . . . 73.51 108.09 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 104' ' ' ALA . 61.5 t -109.47 101.73 47.01 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.307 0.643 . . . . 44.34 109.848 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -90.29 123.07 1.01 Allowed 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 123.355 2.703 . . . . 63.32 110.939 167.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.446 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 19.8 p90 -146.46 170.93 15.84 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.466 0.706 . . . . 71.42 109.686 177.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.23 163.43 28.6 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.144 0.497 . . . . 72.11 110.716 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.583 ' HB2' ' H ' ' A' ' 122' ' ' THR . 1.5 m-20 -112.8 -170.73 1.73 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.543 1.137 . . . . 75.44 110.009 -176.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -79.62 -39.84 30.64 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.629 -1.169 . . . . 62.34 108.659 152.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 m -51.16 -42.03 60.55 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.829 1.652 . . . . 74.52 111.876 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.583 ' H ' ' HB2' ' A' ' 119' ' ' ASP . 40.9 p -63.39 -43.76 96.66 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.153 -0.93 . . . . 62.34 111.056 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.6 -20.72 66.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.103 0.961 . . . . 64.55 112.414 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.472 ' HB2' ' HG2' ' A' ' 126' ' ' ARG . 43.0 m-20 -81.54 -8.89 59.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.12 0.568 . . . . 70.11 111.954 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.1 -16.46 28.07 Favored Glycine 0 C--N 1.352 1.451 0 N-CA-C 114.284 0.474 . . . . 52.42 114.284 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.472 ' HG2' ' HB2' ' A' ' 124' ' ' ASP . 26.2 ptt180 -63.35 -21.85 66.52 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.862 0.865 . . . . 71.34 111.862 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 26.9 p -133.44 159.42 40.41 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.679 -0.86 . . . . 73.54 108.679 165.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.75 96.15 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 126.534 1.934 . . . . 64.11 114.553 177.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.454 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 11.7 pt-20 -70.26 -20.75 63.04 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.38 1.072 . . . . 71.22 112.373 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -78.61 -8.19 58.38 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.269 0.628 . . . . 72.5 111.9 176.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 141.52 155.45 6.47 Favored Glycine 0 C--N 1.341 0.832 0 CA-C-N 116.784 -0.189 . . . . 53.3 112.803 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -109.4 145.13 36.63 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.498 1.119 . . . . 75.34 108.28 169.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -111.59 162.94 14.62 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.662 0.385 . . . . 74.03 110.199 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.446 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 1.6 tt -157.72 141.98 16.14 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 107.304 -1.369 . . . . 53.43 107.304 170.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.27 132.68 46.68 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.035 -1.098 . . . . 74.24 108.035 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.403 ' HB ' ' HB2' ' A' ' 113' ' ' LEU . 77.3 t -114.91 122.73 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 109.257 -0.646 . . . . 73.23 109.257 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.479 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 29.4 t70 -78.07 111.76 20.58 Favored Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 108.595 -0.891 . . . . 61.32 108.595 174.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.79 -38.03 25.4 Favored 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 122.481 2.121 . . . . 65.52 112.682 -177.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 55.69 28.96 12.89 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.31 1.044 . . . . 74.4 112.914 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 57.26 44.26 93.4 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 114.056 0.382 . . . . 53.55 114.056 -169.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.07 160.65 28.9 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.667 0.387 . . . . 64.15 110.785 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -138.3 171.67 14.04 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.225 0.61 . . . . 74.51 109.439 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.18 112.58 3.71 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 123.776 0.673 . . . . 65.21 112.28 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 114.44 -17.89 18.33 Favored Glycine 0 N--CA 1.467 0.747 0 CA-C-O 119.659 -0.523 . . . . 65.12 112.794 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -74.71 -179.65 4.26 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 109.29 -0.633 . . . . 71.44 109.29 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -133.84 160.67 36.94 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.108 0.48 . . . . 74.11 110.483 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.64 148.73 28.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 C-N-CA 124.51 1.124 . . . . 55.13 108.245 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.95 112.46 18.36 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.873 -0.417 . . . . 41.21 109.873 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.8 mt -96.59 88.72 4.75 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 124.035 0.934 . . . . 75.13 108.532 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 45.6 t0 -94.9 111.09 22.91 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.75 -0.833 . . . . 73.14 108.75 177.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.506 ' HB3' HG21 ' A' ' 180' ' ' ILE . 44.3 m-85 -72.31 -14.53 61.77 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.972 0.909 . . . . 74.4 111.651 -177.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.58 HD21 HG23 ' A' ' 54' ' ' ILE . 29.8 t30 -57.55 -35.24 70.07 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.801 0.841 . . . . 71.11 111.182 171.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.452 HD11 HG12 ' A' ' 19' ' ' ILE . 3.9 mm? -83.36 10.82 7.79 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.621 0.768 . . . . 74.51 112.403 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -61.64 137.06 58.22 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 112.866 0.691 . . . . 63.51 112.866 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -102.02 177.95 4.75 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 124.716 1.206 . . . . 72.31 111.43 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -133.92 139.37 33.17 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-N 114.033 -1.44 . . . . 73.22 111.458 -162.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.49 138.15 17.17 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 122.782 2.322 . . . . 70.22 110.979 163.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.11 -2.91 46.56 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.852 0.861 . . . . 73.33 111.482 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 26.6 m -61.64 -36.73 81.6 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.774 1.23 . . . . 73.03 112.407 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.87 -9.99 25.14 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.44 1.096 . . . . 61.52 113.307 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -91.89 14.16 16.4 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.312 1.045 . . . . 74.13 111.999 -170.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 108.91 7.05 29.69 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 119.947 -0.363 . . . . 75.5 113.836 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -166.16 118.91 0.83 Allowed Glycine 0 C--N 1.341 0.807 0 N-CA-C 110.63 -0.988 . . . . 60.02 110.63 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 61.6 p -62.46 112.72 2.57 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.492 0.717 . . . . 73.5 112.761 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -92.87 -175.67 3.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.652 0.781 . . . . 62.43 109.462 170.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 23.2 t -90.23 93.39 9.33 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.677 -0.49 . . . . 70.13 109.677 -176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 18.6 p -124.27 135.57 53.5 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 108.283 -1.006 . . . . 75.2 108.283 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.08 119.7 17.68 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.905 0.882 . . . . 75.4 110.614 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.16 126.82 79.06 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.285 1.034 . . . . 62.03 109.365 171.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -63.02 144.88 93.79 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.449 2.099 . . . . 63.42 111.586 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.09 156.13 67.7 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 121.962 1.775 . . . . 75.03 111.457 174.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -55.39 -30.22 59.97 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.002 0.921 . . . . 71.53 113.156 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.17 -23.04 62.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.093 0.557 . . . . 74.11 111.728 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -100.43 11.38 39.57 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.173 0.511 . . . . 75.24 110.618 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -82.72 99.81 9.86 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 107.052 -1.462 . . . . 75.42 107.052 170.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.58 117.02 63.96 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 123.984 0.913 . . . . 62.54 109.895 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -70.53 64.16 2.25 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.995 2.464 . . . . 72.31 112.345 165.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -153.88 147.55 25.23 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 124.586 1.154 . . . . 74.03 108.282 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -94.79 109.77 21.7 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.73 -0.47 . . . . 64.24 109.73 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.4 mp -95.19 101.86 12.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 107.33 -1.359 . . . . 63.33 107.33 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 41.3 p -92.06 62.26 4.17 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.995 0.903 . . . . 74.51 109.359 176.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.56 0 CA-C-N 114.218 -1.355 . . . . 73.51 107.35 174.797 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 CA--C 1.566 1.578 0 N-CA-C 110.649 -0.13 . . . . 65.04 110.649 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.525 ' HG3' ' HA ' ' A' ' 141' ' ' ALA . 98.6 Cg_endo -82.49 139.45 10.22 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 123.684 2.923 . . . . 70.53 111.021 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -178.01 -48.73 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.967 1.307 . . . . 63.02 108.153 -173.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -83.48 31.24 0.52 Allowed 'Trans proline' 0 C--N 1.396 3.03 0 C-N-CA 122.101 1.867 . . . . 71.21 111.893 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.5 m -61.7 -29.08 45.44 Favored 'Isoleucine or valine' 0 C--N 1.359 1.018 0 C-N-CA 124.256 1.022 . . . . 70.44 109.41 171.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 t -93.16 72.18 4.59 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 114.63 -1.168 . . . . 75.1 108.069 166.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -43.01 175.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 125.801 1.64 . . . . 72.31 114.585 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -49.8 139.49 13.12 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 118.505 -0.759 . . . . 72.4 109.919 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -45.52 -34.11 3.09 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 113.457 0.91 . . . . 71.01 113.457 -165.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.09 -57.52 12.49 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.604 0.761 . . . . 72.42 111.274 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -70.24 -33.96 72.27 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.533 0.733 . . . . 74.33 111.608 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -62.19 -53.92 48.33 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.07 0.948 . . . . 75.52 109.447 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HG2' HG21 ' A' ' 54' ' ' ILE . 55.9 mtt180 -69.61 -23.19 63.48 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.658 0.598 . . . . 74.51 111.755 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -43.96 77.04 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 122.884 0.473 . . . . 55.52 112.156 170.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 31.7 mmt180 -63.01 -41.27 99.52 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 109.56 -0.533 . . . . 75.12 109.56 175.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.839 HG23 HD11 ' A' ' 153' ' ' LEU . 85.8 mt -60.78 -44.13 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 124.615 1.166 . . . . 75.52 110.965 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.41 -43.27 93.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.339 0.656 . . . . 70.13 110.924 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.81 -34.7 75.95 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.715 0.634 . . . . 71.33 110.959 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 6.5 t-160 -62.38 -55.43 27.97 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.63 1.172 . . . . 73.2 110.164 176.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.417 ' HD2' HG22 ' A' ' 19' ' ' ILE . 49.0 mtp180 -61.12 -48.27 82.42 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.894 0.877 . . . . 75.32 109.871 -177.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.37 88.54 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 115.25 -0.887 . . . . 72.45 111.306 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.11 -48.4 81.86 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.016 0.822 . . . . 73.11 110.933 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 65.8 mmtt -71.66 -24.69 61.89 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.393 0.433 . . . . 73.44 111.601 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.622 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -73.0 -47.94 40.7 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.265 0.626 . . . . 71.24 111.262 172.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.42 ' HA ' ' HB3' ' A' ' 31' ' ' ALA . 13.1 pt-20 -80.38 -12.87 59.53 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.981 0.512 . . . . 71.21 111.478 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 33' ' ' HIS . 83.9 t80 -53.88 -51.63 63.07 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.889 0.876 . . . . 64.45 111.781 177.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.725 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -86.02 -15.85 40.09 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.851 -0.613 . . . . 53.24 112.453 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 28' ' ' GLU . . . -87.38 -56.91 3.15 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.026 0.53 . . . . 71.41 111.549 -171.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.8 t -116.61 -46.31 2.77 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.166 0.587 . . . . 72.12 111.452 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 29' ' ' PHE . 15.5 m170 -47.63 117.66 1.92 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.771 0.828 . . . . 72.24 111.489 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.1 -19.19 4.56 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.897 1.679 . . . . 72.11 114.054 -175.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -60.52 -34.99 74.91 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.174 0.99 . . . . 72.24 113.343 -175.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.585 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 50.1 m -159.43 103.15 1.5 Allowed Pre-proline 0 CA--C 1.547 0.86 0 N-CA-C 108.433 -0.951 . . . . 75.34 108.433 -174.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -74.89 145.76 32.3 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 122.204 1.936 . . . . 64.31 112.421 170.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 tt -88.55 140.65 29.96 Favored Pre-proline 0 CA--C 1.561 1.371 0 N-CA-C 108.639 -0.874 . . . . 75.53 108.639 173.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.39 147.6 56.12 Favored 'Trans proline' 0 C--N 1.383 2.369 0 C-N-CA 122.594 2.196 . . . . 71.51 112.489 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -61.27 -25.68 80.85 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.853 2.369 . . . . 72.24 112.744 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.85 -49.83 74.68 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.447 0.699 . . . . 54.45 111.105 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -77.51 -27.92 51.93 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.349 0.66 . . . . 54.51 110.422 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -64.35 -29.06 70.15 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.742 -0.663 . . . . 65.51 111.123 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.39 -38.65 91.33 Favored Glycine 0 C--N 1.348 1.245 0 N-CA-C 111.442 -0.663 . . . . 75.15 111.442 170.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.51 1.17 30.52 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.955 0.902 . . . . 52.5 112.841 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -78.96 104.35 9.54 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.468 0.651 . . . . 75.23 110.142 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -115.29 -0.0 13.34 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.448 -0.945 . . . . 75.32 108.448 164.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.14 139.14 4.37 Favored Glycine 0 C--N 1.339 0.712 0 N-CA-C 108.742 -1.743 . . . . 74.11 108.742 -166.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.646 HD21 HD21 ' A' ' 30' ' ' LEU . 2.2 mm? -82.36 179.7 7.71 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 109.142 -0.688 . . . . 61.23 109.142 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -72.79 110.38 7.08 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.743 -1.206 . . . . 64.04 107.743 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -111.97 112.97 25.0 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.859 -1.163 . . . . 73.14 107.859 -171.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -74.38 125.72 29.12 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.089 -0.96 . . . . 73.04 109.356 -171.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -90.78 166.65 12.99 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.15 -0.932 . . . . 73.43 110.352 -166.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.475 HD12 HG21 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -69.4 148.97 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 123.654 0.596 . . . . 75.45 110.553 -169.384 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -163.2 109.48 1.15 Allowed 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.76 0.662 . . . . 43.42 109.593 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.56 -22.84 62.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.482 0.713 . . . . 45.41 111.719 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -82.54 -35.68 27.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.289 0.636 . . . . 42.01 110.45 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -85.94 6.38 28.79 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.578 0.751 . . . . 74.45 111.228 173.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -97.13 100.72 12.2 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 106.108 -1.812 . . . . 72.12 106.108 166.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.1 m -101.36 167.75 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 108.984 -0.747 . . . . 74.14 108.984 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.75 115.42 30.11 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.764 -1.199 . . . . 72.12 107.764 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.32 146.59 34.1 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.651 0.78 . . . . 73.53 109.162 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -74.23 118.99 17.83 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.921 -0.77 . . . . 75.45 108.921 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -78.95 106.23 10.84 Favored 'General case' 0 C--O 1.25 1.101 0 N-CA-C 108.643 -0.873 . . . . 73.14 108.643 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -110.83 97.52 34.0 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 107.843 -1.169 . . . . 65.33 107.843 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.668 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 56.1 Cg_endo -66.67 154.67 73.61 Favored 'Trans proline' 0 C--N 1.362 1.257 0 C-N-CA 122.645 2.23 . . . . 70.51 111.477 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.56 112.49 5.39 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 106.69 -1.596 . . . . 61.53 106.69 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -61.47 -16.28 45.57 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.401 0.68 . . . . 64.22 111.865 -171.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -142.97 90.69 7.41 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 107.662 -1.236 . . . . 74.12 107.662 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -62.73 129.14 25.29 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.692 2.261 . . . . 64.41 112.012 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -138.84 160.01 40.75 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.464 0.305 . . . . 73.11 111.634 -168.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.37 108.07 5.29 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.202 -0.908 . . . . 71.53 111.279 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.4 m -106.51 153.68 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.061 0.945 . . . . 74.44 108.718 172.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.76 127.7 53.61 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.203 0.601 . . . . 73.43 109.522 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.421 HD23 ' HD1' ' A' ' 85' ' ' TYR . 2.6 mm? -110.65 118.23 35.63 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.174 -1.047 . . . . 74.1 108.174 174.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -68.26 150.99 47.59 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.776 -0.824 . . . . 64.24 108.776 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.5 p -127.7 167.32 16.61 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.145 -0.687 . . . . 73.54 109.145 -174.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.427 HG23 HD21 ' A' ' 169' ' ' LEU . 19.3 p -87.75 -27.9 22.07 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.645 0.778 . . . . 72.44 110.791 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -72.14 -31.92 66.43 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.914 0.886 . . . . 75.42 111.628 -175.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.58 -123.31 1.19 Allowed Glycine 0 C--N 1.347 1.16 0 CA-C-O 118.382 -1.232 . . . . 62.53 112.075 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.96 149.69 77.45 Favored 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 123.72 2.947 . . . . 74.32 113.833 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.2 158.69 56.4 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.647 2.231 . . . . 74.32 112.72 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -114.05 124.86 53.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.14 0.976 . . . . 74.33 110.13 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -84.91 126.28 33.36 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.76 0.424 . . . . 75.22 110.915 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.537 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 81.0 m-85 -130.07 148.66 51.94 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.452 -0.944 . . . . 74.14 108.452 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.637 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 9.4 m -87.7 114.41 24.28 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 118.274 -0.869 . . . . 63.21 109.304 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -66.52 111.19 3.47 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 119.967 1.258 . . . . 73.22 109.222 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -97.09 -33.15 11.63 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.522 0.729 . . . . 63.51 111.328 -172.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.668 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -153.93 170.13 21.77 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.48 0.548 . . . . 75.32 112.48 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.531 HG12 HG22 ' A' ' 101' ' ' THR . 0.2 OUTLIER -139.16 124.81 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 N-CA-C 106.298 -1.741 . . . . 72.4 106.298 168.576 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 101' ' ' THR . 2.7 mm? -100.83 121.1 41.12 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.305 0.642 . . . . 74.41 110.516 -173.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.17 117.44 5.87 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 111.679 -0.568 . . . . 71.44 111.679 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.657 ' HE2' ' HB2' ' A' ' 102' ' ' LEU . 48.1 p90 -144.54 -174.11 4.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.773 0.829 . . . . 73.55 109.206 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 9.1 p-10 -132.25 145.38 51.27 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.883 0.873 . . . . 74.12 109.497 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.512 HD13 HD11 ' A' ' 180' ' ' ILE . 29.1 mt -154.77 129.95 9.62 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.65 1.18 . . . . 74.42 108.907 178.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.07 -107.03 1.77 Allowed Glycine 0 C--N 1.348 1.244 0 O-C-N 123.248 0.343 . . . . 64.23 112.95 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -103.81 -17.96 14.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.096 0.959 . . . . 74.25 111.438 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.6 m -120.51 139.7 52.52 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.457 0.54 . . . . 44.43 112.457 -165.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 9.0 p80 -83.77 129.66 34.94 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 106.809 -1.552 . . . . 71.31 106.809 163.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -133.45 147.96 51.72 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.82 0.448 . . . . 65.23 109.811 -170.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.531 HG22 HG12 ' A' ' 90' ' ' VAL . 2.4 m -121.55 122.23 39.21 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 108.042 -1.096 . . . . 74.21 108.042 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.657 ' HB2' ' HE2' ' A' ' 93' ' ' PHE . 10.2 tp -112.31 127.56 56.03 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.056 0.942 . . . . 72.23 109.136 -165.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.9 m -84.82 122.83 29.71 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.287 0.494 . . . . 62.12 110.535 -170.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.569 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -103.01 123.4 46.55 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.685 1.194 . . . . 51.31 109.279 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 34.2 m-85 -99.16 171.16 8.18 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 123.653 0.781 . . . . 74.31 109.586 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.637 ' HB3' ' HB ' ' A' ' 86' ' ' THR . 33.0 ttm180 -117.96 125.75 51.01 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 124.41 1.084 . . . . 72.51 108.439 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.632 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 21.4 t -98.78 121.19 49.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 107.752 -1.203 . . . . 71.1 107.752 173.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.29 126.96 29.8 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 123.69 0.619 . . . . 71.1 110.316 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.3 -27.61 8.31 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 116.125 -0.489 . . . . 71.21 113.106 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.632 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 10.7 tp10 -96.78 122.76 40.09 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.333 0.653 . . . . 73.22 109.713 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.1 m -67.58 -17.53 64.66 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.178 0.991 . . . . 72.13 112.851 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.456 ' HB3' ' HB2' ' A' ' 135' ' ' ASP . 73.2 m -93.69 147.6 22.88 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.531 0.681 . . . . 52.01 111.417 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 78.9 mt -84.66 132.72 34.45 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.128 1.371 . . . . 75.25 109.974 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.37 112.63 23.1 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.037 -1.098 . . . . 74.3 108.037 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 104' ' ' ALA . 14.9 t -118.65 86.28 29.12 Favored Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 123.306 0.642 . . . . 64.43 109.437 177.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -75.54 122.57 7.02 Favored 'Trans proline' 0 C--N 1.367 1.545 0 C-N-CA 121.682 1.588 . . . . 75.21 109.01 166.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -140.64 172.96 11.97 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.618 0.367 . . . . 50.31 110.615 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.457 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.9 p -133.83 164.14 27.93 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.56 0.744 . . . . 74.41 109.62 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.455 ' HB3' HD13 ' A' ' 180' ' ' ILE . 1.2 p30 -151.62 -179.27 7.27 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.915 0.886 . . . . 74.12 110.382 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -66.35 -25.9 67.03 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.871 0.367 . . . . 71.34 110.722 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.535 HG21 ' HB ' ' A' ' 181' ' ' THR . 11.2 m -75.47 -28.01 59.08 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.31 1.044 . . . . 74.45 111.224 -176.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.63 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 73.0 p -68.35 -36.8 79.77 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 120.882 0.372 . . . . 65.4 110.133 175.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.81 -34.63 78.24 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.406 -0.815 . . . . 72.11 110.967 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.37 -15.24 58.2 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.219 0.608 . . . . 73.13 110.95 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.48 32.32 25.32 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 116.389 -0.369 . . . . 75.44 113.206 177.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.464 ' HB2' HG22 ' A' ' 121' ' ' THR . 34.2 mmt-85 -104.51 -45.46 4.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.04 -0.726 . . . . 74.52 109.04 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.2 p -101.83 163.42 12.26 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 108.216 -1.031 . . . . 44.12 108.216 161.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -72.99 126.49 30.06 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.421 0.288 . . . . 72.21 111.556 -168.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.63 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 10.2 pt-20 -64.67 -37.73 88.58 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 114.08 1.141 . . . . 55.12 114.08 -168.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -72.68 -9.93 59.2 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.661 0.385 . . . . 64.43 111.77 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.62 168.9 12.92 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 111.458 -0.657 . . . . 52.41 111.458 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -140.19 143.45 36.09 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.472 0.709 . . . . 63.22 109.107 167.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -91.56 137.4 32.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.834 0.454 . . . . 73.43 110.257 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.469 HD22 HG22 ' A' ' 136' ' ' VAL . 2.5 tt -133.61 119.26 19.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.469 -2.049 . . . . 63.34 105.469 168.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.534 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 3.4 p-10 -102.79 110.72 22.74 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.625 0.726 . . . . 72.52 109.261 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.469 HG22 HD22 ' A' ' 134' ' ' LEU . 39.3 t -95.75 134.01 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 114.638 -1.165 . . . . 73.33 110.258 -171.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.53 114.64 49.26 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 108.978 -0.749 . . . . 71.45 108.978 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.56 -34.73 8.93 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.355 2.037 . . . . 65.01 111.763 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 50.36 44.04 26.68 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.233 1.013 . . . . 45.35 112.236 -175.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.8 46.6 54.47 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 115.563 -0.744 . . . . 73.34 114.488 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.525 ' HA ' ' HG3' ' A' ' 5' ' ' PRO . . . -76.21 165.17 25.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.509 0.559 . . . . 72.31 112.509 177.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -141.12 169.83 16.87 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.39 0.676 . . . . 73.25 110.355 -174.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 66' ' ' PRO . . . -60.23 112.6 4.63 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 124.0 0.809 . . . . 71.5 114.183 -173.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 99.73 3.67 56.04 Favored Glycine 0 C--N 1.339 0.701 0 O-C-N 124.17 0.571 . . . . 64.02 113.129 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -84.44 -175.46 5.8 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 108.829 -0.804 . . . . 73.25 108.829 166.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -137.7 150.59 47.45 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.306 0.574 . . . . 75.41 110.97 173.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.78 160.39 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.501 1.12 . . . . 74.41 109.286 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.9 114.93 20.84 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 123.04 0.536 . . . . 74.13 110.69 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.31 87.54 5.67 Favored 'General case' 0 C--O 1.246 0.902 0 C-N-CA 123.917 0.887 . . . . 74.31 109.113 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.536 ' HB3' HD23 ' A' ' 153' ' ' LEU . 4.3 m-20 -74.85 93.81 2.69 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.804 -1.089 . . . . 62.14 109.792 169.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.559 ' HB3' HG21 ' A' ' 180' ' ' ILE . 26.4 m-85 -71.86 -18.61 62.05 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.219 0.608 . . . . 75.12 110.843 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -75.63 -4.56 40.84 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.051 0.94 . . . . 71.14 111.32 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.839 HD11 HG23 ' A' ' 19' ' ' ILE . 4.1 mm? -105.55 5.06 31.06 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.093 0.957 . . . . 65.44 111.592 172.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -81.62 106.1 13.29 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.731 -0.47 . . . . 74.5 109.731 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -100.44 176.71 5.26 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.147 0.979 . . . . 74.31 110.162 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -94.9 151.99 39.33 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 122.977 0.511 . . . . 74.01 110.203 -174.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -59.47 149.07 84.09 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 123.296 2.664 . . . . 74.31 112.957 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -80.53 -18.45 48.44 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.488 -0.778 . . . . 73.31 111.325 -177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 43.6 t -59.35 -23.83 62.85 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.429 0.692 . . . . 73.13 111.323 172.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -56.28 -27.5 55.56 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 123.807 0.843 . . . . 74.11 112.269 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -85.55 19.12 2.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.302 0.641 . . . . 72.51 110.943 -172.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 102.92 -62.11 0.46 Allowed Glycine 0 C--N 1.348 1.215 0 O-C-N 122.282 -0.261 . . . . 71.13 112.78 163.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.55 30.37 2.31 Favored Glycine 0 N--CA 1.47 0.928 0 N-CA-C 113.66 0.224 . . . . 74.41 113.66 -175.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 18.7 t -81.46 -178.84 7.12 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 109.28 -0.637 . . . . 43.55 109.28 168.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -77.56 -174.16 3.27 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 113.23 0.826 . . . . 71.24 113.23 -170.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 93.6 p -67.43 146.15 54.31 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.657 1.183 . . . . 73.03 113.165 -167.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.9 p -118.64 125.29 49.43 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.825 -0.806 . . . . 64.11 108.825 173.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -69.51 106.41 2.98 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.76 0.824 . . . . 52.11 109.646 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.427 HD21 HG23 ' A' ' 78' ' ' THR . 89.7 mt -64.16 127.52 92.04 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.384 0.674 . . . . 74.41 109.547 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.457 ' HG3' HG23 ' A' ' 118' ' ' THR . 20.5 Cg_endo -59.64 140.3 93.04 Favored 'Trans proline' 0 C--N 1.373 1.848 0 C-N-CA 123.179 2.586 . . . . 53.44 112.562 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.42 162.5 23.76 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.046 1.831 . . . . 75.3 111.305 166.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -54.7 -30.68 56.48 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.401 0.68 . . . . 71.51 111.71 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.29 -22.24 66.88 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.619 1.168 . . . . 72.03 112.065 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.5 ' HA ' HD12 ' A' ' 102' ' ' LEU . 3.7 m-20 -102.36 6.02 40.09 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.58 0.752 . . . . 72.12 111.73 -177.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -84.93 102.16 12.91 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.199 -0.667 . . . . 65.41 109.199 171.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 32.3 t -76.49 126.77 85.79 Favored Pre-proline 0 CA--C 1.55 0.947 0 N-CA-C 108.729 -0.841 . . . . 74.12 108.729 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -81.61 32.07 0.52 Allowed 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.046 2.498 . . . . 71.22 112.93 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -134.25 151.88 51.52 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.285 1.034 . . . . 63.13 108.683 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.93 123.16 29.15 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.219 0.608 . . . . 44.31 109.929 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.3 mp -114.45 104.35 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 107.253 -1.388 . . . . 74.24 107.253 173.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . 0.535 ' HB ' HG21 ' A' ' 121' ' ' THR . 1.3 t -132.9 94.94 3.47 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.472 0.653 . . . . 61.12 110.423 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.605 0 N-CA-C 106.599 -1.63 . . . . 73.51 106.599 165.757 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.437 HG13 ' HD2' ' A' ' 5' ' ' PRO . 2.8 tp . . . . . 0 CA--C 1.562 1.43 0 N-CA-C 107.296 -1.372 . . . . 75.54 107.296 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 4' ' ' ILE . 57.0 Cg_endo -72.11 128.28 13.74 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 121.358 1.372 . . . . 73.21 110.882 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mt 179.6 -53.28 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 125.555 1.542 . . . . 64.01 107.85 -176.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -81.12 37.35 0.68 Allowed 'Trans proline' 0 C--N 1.405 3.531 0 C-N-CA 122.16 1.906 . . . . 62.12 112.423 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 137' ' ' ASP . 32.9 m -64.93 -32.21 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 N-CA-C 108.424 -0.954 . . . . 71.22 108.424 164.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -93.27 97.56 10.7 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 105.435 -2.061 . . . . 72.42 105.435 159.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -83.34 -164.23 0.86 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.664 -1.273 . . . . 65.34 111.475 -164.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t -48.03 122.86 5.52 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.726 1.21 . . . . 74.01 110.522 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.557 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 4.9 p-10 -56.71 -22.67 36.77 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 115.11 1.522 . . . . 65.23 115.11 -160.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -68.63 -50.45 51.26 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.22 0.464 . . . . 74.41 110.95 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.27 -23.59 51.17 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.132 0.573 . . . . 65.01 111.04 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.574 ' O ' HG13 ' A' ' 19' ' ' ILE . 27.7 t90 -69.92 -46.01 66.29 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 108.963 -0.754 . . . . 63.34 108.963 173.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -69.48 -30.95 68.95 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.037 0.535 . . . . 71.45 110.714 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.98 89.43 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.116 0.566 . . . . 70.43 110.771 168.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -64.69 -38.96 92.77 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 122.952 0.501 . . . . 63.4 110.724 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.575 HG12 HD11 ' A' ' 153' ' ' LEU . 27.9 mt -65.03 -49.95 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 109.493 -0.558 . . . . 62.22 109.493 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.45 94.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.679 -1.146 . . . . 71.2 111.24 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.89 50.9 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.49 0.716 . . . . 64.21 112.03 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -62.47 -47.47 83.89 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.574 0.75 . . . . 74.54 109.227 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -61.35 -45.27 95.09 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.852 0.72 . . . . 75.5 110.379 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.8 -42.05 88.17 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.706 0.629 . . . . 75.54 110.577 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.79 -50.53 66.4 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 124.299 0.999 . . . . 63.34 110.073 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 16.0 mmmt -72.96 -17.74 61.44 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 123.518 0.511 . . . . 70.15 111.192 -174.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -80.73 -48.65 12.24 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.116 0.966 . . . . 63.34 109.929 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.74 -15.25 58.67 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.605 -0.725 . . . . 70.24 110.449 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -50.35 -53.47 28.75 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.188 1.395 . . . . 71.25 112.161 -176.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.695 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -82.52 -17.43 45.05 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.389 -0.823 . . . . 63.34 111.331 -174.279 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.05 -32.35 21.46 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.293 0.637 . . . . 72.04 111.424 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.1 p -126.57 -60.08 1.26 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.092 0.557 . . . . 75.52 111.704 -176.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -55.77 124.08 16.32 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 123.942 0.776 . . . . 72.3 111.21 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.29 -17.76 64.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.574 1.15 . . . . 73.54 113.082 -168.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.24 -27.5 69.39 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.503 0.927 . . . . 74.44 113.503 -171.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.2 m -155.9 76.01 4.84 Favored Pre-proline 0 N--CA 1.483 1.179 0 O-C-N 121.969 -0.457 . . . . 62.0 110.064 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -65.14 130.4 25.52 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.562 2.175 . . . . 73.31 112.725 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.695 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 17.3 tt -72.56 144.78 86.68 Favored Pre-proline 0 N--CA 1.488 1.465 0 C-N-CA 124.814 1.246 . . . . 62.33 109.406 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -36.87 124.77 0.42 Allowed 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 123.576 2.851 . . . . 73.14 113.906 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.53 -28.62 65.62 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.745 2.963 . . . . 73.11 114.271 -171.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.73 92.92 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.852 0.461 . . . . 74.41 111.0 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -76.51 -37.09 57.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.197 0.599 . . . . 62.42 109.923 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.501 ' HB2' HG23 ' A' ' 38' ' ' ILE . 76.3 ttt180 -64.19 -31.26 72.39 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.459 0.704 . . . . 72.22 111.706 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.3 -44.95 96.94 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 112.241 -0.344 . . . . 43.12 112.241 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.63 22.38 3.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.904 0.881 . . . . 73.3 112.009 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.31 124.96 29.79 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 109.436 -0.579 . . . . 72.11 109.436 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -124.53 -32.01 3.18 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.372 1.069 . . . . 64.41 108.66 166.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.26 117.8 0.84 Allowed Glycine 0 C--N 1.338 0.676 0 N-CA-C 108.773 -1.731 . . . . 60.41 108.773 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.78 -175.93 1.21 Allowed 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.653 0.74 . . . . 62.41 111.622 -174.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.489 ' HD3' ' H ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -101.04 153.53 19.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.205 -0.907 . . . . 74.1 110.326 -168.535 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -153.39 128.64 9.79 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.865 0.866 . . . . 65.24 109.034 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -58.9 153.63 16.88 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.418 0.687 . . . . 51.04 111.674 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -74.29 158.69 33.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.216 0.606 . . . . 62.21 111.205 -176.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.565 HD12 HG21 ' A' ' 19' ' ' ILE . 13.4 mm -71.28 114.56 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.273 -0.876 . . . . 74.53 110.482 -170.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -115.12 113.96 24.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.355 0.662 . . . . 70.23 109.229 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.57 -6.37 43.59 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.785 0.834 . . . . 74.43 110.878 171.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.5 m -65.87 -36.82 84.5 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.537 1.135 . . . . 63.24 111.294 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 89.9 m-85 -85.13 7.31 22.17 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.011 0.924 . . . . 74.41 112.39 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 55.8 ttp180 -96.93 93.3 6.55 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.344 -0.984 . . . . 74.24 108.344 178.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.01 161.54 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 109.593 -0.521 . . . . 74.13 109.593 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.33 127.77 46.55 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.157 -1.053 . . . . 74.14 108.157 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.52 137.99 52.19 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.138 0.975 . . . . 64.34 109.277 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 92' ' ' GLY . 8.5 ptp85 -75.25 125.17 28.41 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 109.416 -0.586 . . . . 72.22 109.416 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -85.96 127.85 34.72 Favored 'General case' 0 C--O 1.251 1.147 0 C-N-CA 124.572 1.149 . . . . 73.15 109.273 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 24.2 tt0 -132.99 109.81 12.91 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 108.418 -0.956 . . . . 73.22 108.418 169.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.68 149.74 83.79 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.105 1.87 . . . . 74.44 110.201 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 110.99 2.48 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.515 -0.55 . . . . 74.24 109.515 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -56.65 -23.17 39.59 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.829 0.852 . . . . 42.21 112.644 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -141.56 97.72 6.63 Favored Pre-proline 0 CA--C 1.547 0.838 0 N-CA-C 109.037 -0.727 . . . . 54.22 109.037 163.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -66.11 121.25 8.53 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.373 2.048 . . . . 71.31 111.012 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -129.23 145.33 51.36 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.472 0.709 . . . . 74.53 110.722 -172.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.28 108.38 15.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.608 0.763 . . . . 41.53 109.643 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 19.5 m -106.78 160.39 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.517 1.127 . . . . 61.11 109.712 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -108.19 113.15 26.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.228 0.611 . . . . 61.03 109.411 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -98.91 128.0 44.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.101 -1.444 . . . . 73.14 107.101 174.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -60.8 144.21 53.02 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.122 -0.696 . . . . 71.12 109.122 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.4 p -116.62 164.28 14.84 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 118.388 0.54 . . . . 72.05 110.459 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.1 p -82.0 -23.96 35.7 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.939 0.896 . . . . 44.22 110.701 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -73.1 -31.07 64.1 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.443 0.697 . . . . 70.43 111.796 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.58 -121.4 1.28 Allowed Glycine 0 C--N 1.342 0.881 0 CA-C-O 118.62 -1.1 . . . . 34.5 111.558 -173.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 12.6 Cg_endo -52.26 141.86 48.19 Favored 'Trans proline' 0 C--N 1.385 2.49 0 C-N-CA 124.144 3.229 . . . . 75.32 113.676 -175.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 29.3 Cg_exo -61.65 149.55 89.39 Favored 'Trans proline' 0 C--N 1.384 2.423 0 C-N-CA 123.001 2.468 . . . . 72.43 112.975 -178.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.97 138.3 43.39 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.327 1.051 . . . . 71.22 109.956 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 9.5 pt-20 -85.18 124.02 31.35 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.626 0.579 . . . . 72.42 110.312 177.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.512 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.4 m-85 -128.95 134.36 48.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.346 1.058 . . . . 75.45 108.985 174.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.5 m -85.04 129.85 34.72 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.204 -0.665 . . . . 71.45 109.204 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -68.28 110.18 3.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.964 0.505 . . . . 63.42 109.869 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.41 -50.93 8.87 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 123.419 0.688 . . . . 70.21 111.067 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.87 175.58 13.76 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.88 -1.054 . . . . 73.2 110.48 -172.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.3 t -135.98 124.01 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 125.751 1.62 . . . . 60.42 107.027 172.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.73 135.26 44.7 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.894 0.877 . . . . 74.25 109.709 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 63' ' ' ARG . . . -120.55 139.46 13.6 Favored Glycine 0 N--CA 1.469 0.856 0 N-CA-C 110.884 -0.886 . . . . 72.53 110.884 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.406 ' HE2' HD12 ' A' ' 95' ' ' LEU . 25.8 p90 -163.73 156.19 17.71 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.786 0.793 . . . . 72.12 110.117 -175.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -93.44 158.31 15.78 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 109.426 -0.583 . . . . 74.51 109.426 172.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.406 HD12 ' HE2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -163.65 132.03 3.72 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 106.254 -1.758 . . . . 74.13 106.254 178.655 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.92 -101.63 1.58 Allowed Glycine 0 C--N 1.351 1.376 0 N-CA-C 111.215 -0.754 . . . . 62.45 111.215 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -131.86 7.21 4.37 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.278 1.031 . . . . 55.13 109.488 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 m -131.84 151.68 51.52 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 121.194 0.521 . . . . 73.31 112.179 -163.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -90.64 138.53 31.5 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.106 -0.952 . . . . 72.32 109.024 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -137.12 137.58 39.41 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.639 1.175 . . . . 72.33 109.314 -171.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.4 m -129.11 121.87 28.7 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.106 0.562 . . . . 44.53 109.52 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.417 ' HA ' ' ND2' ' A' ' 174' ' ' ASN . 6.1 mp -113.44 143.65 44.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.101 1.36 . . . . 72.44 109.093 -176.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.7 m -97.22 132.48 42.94 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 121.057 0.456 . . . . 51.0 109.939 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.93 126.53 47.57 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.739 1.215 . . . . 60.51 108.763 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.512 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 52.0 m-85 -101.75 168.4 9.47 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 123.81 0.844 . . . . 41.5 109.627 175.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.463 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 39.4 ttm180 -113.09 117.55 32.28 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.47 1.108 . . . . 70.23 108.786 -172.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -103.58 108.4 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.811 -1.551 . . . . 74.52 106.811 171.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -72.06 150.25 44.11 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.035 0.445 . . . . 72.42 110.414 -177.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.75 -38.35 3.12 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 114.752 -1.113 . . . . 70.21 111.769 -167.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.57 124.57 35.84 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.899 1.28 . . . . 72.12 109.485 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.9 t -75.14 -13.38 60.46 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.11 0.964 . . . . 63.54 112.539 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.2 m -92.68 140.85 29.1 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.542 0.737 . . . . 70.2 109.758 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.486 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 64.8 mt -81.58 146.34 30.17 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.984 0.914 . . . . 74.54 109.661 177.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.84 103.25 13.42 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.103 0.961 . . . . 63.1 108.449 -176.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.72 100.53 14.65 Favored Pre-proline 0 N--CA 1.473 0.695 0 N-CA-C 109.218 -0.66 . . . . 74.31 109.218 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -88.33 132.39 2.64 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 123.004 2.469 . . . . 74.42 110.963 172.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -155.69 168.81 25.97 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.833 0.853 . . . . 74.24 110.049 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.8 p -131.71 167.1 20.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.055 0.942 . . . . 50.01 108.615 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 1.9 p30 -147.56 -167.95 2.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.638 0.775 . . . . 51.1 110.303 -177.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.69 -33.5 53.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.776 0.43 . . . . 72.24 111.217 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.2 m -69.98 -32.26 70.38 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 123.756 0.823 . . . . 72.5 110.291 -175.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.1 p -68.5 -35.04 76.95 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.674 0.79 . . . . 64.45 111.501 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.36 -37.25 82.68 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.417 0.687 . . . . 71.2 111.807 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.402 ' HB2' ' HG2' ' A' ' 126' ' ' ARG . 13.0 m-20 -67.54 -13.02 61.69 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.265 0.626 . . . . 73.3 111.968 178.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.63 18.83 80.03 Favored Glycine 0 C--N 1.344 0.981 0 O-C-N 123.271 0.357 . . . . 44.1 113.628 -176.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HG2' ' HB2' ' A' ' 124' ' ' ASP . 13.3 ptm180 -101.11 -20.53 15.29 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.283 0.633 . . . . 74.5 109.989 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 19.1 p -122.2 -179.29 4.12 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 109.011 -0.737 . . . . 73.03 109.011 159.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.05 101.9 0.74 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.597 1.159 . . . . 75.22 111.384 -162.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -63.75 -31.24 72.35 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.72 0.408 . . . . 63.23 111.537 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -75.22 -14.23 60.51 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.368 0.667 . . . . 71.24 111.718 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 133.33 153.15 7.05 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 112.031 -0.428 . . . . 61.51 112.031 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -116.48 140.59 49.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.22 -1.4 . . . . 65.42 107.22 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.584 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 97.3 m-85 -103.2 168.77 8.96 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 118.502 0.592 . . . . 71.54 110.446 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.459 HD13 HD22 ' A' ' 149' ' ' LEU . 0.8 OUTLIER -143.64 130.78 20.69 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 107.88 -1.156 . . . . 63.25 107.88 169.59 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -95.07 100.67 12.46 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 107.635 -1.246 . . . . 70.34 107.635 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.9 t -109.47 117.03 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 115.422 -0.808 . . . . 74.33 109.414 -169.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.461 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 30.7 t70 -80.22 118.44 72.41 Favored Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 108.179 -1.045 . . . . 71.2 108.179 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.486 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 41.5 Cg_endo -66.09 -32.91 42.54 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.22 1.947 . . . . 74.11 111.86 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.32 40.59 26.68 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.228 1.011 . . . . 74.34 112.069 -175.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.98 43.91 55.84 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 116.137 -0.483 . . . . 75.42 114.197 -173.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.41 161.08 28.97 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.148 0.579 . . . . 53.32 111.773 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -129.62 166.53 19.56 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.867 1.267 . . . . 75.11 108.782 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 65' ' ' GLN . . . -60.35 114.56 6.6 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 111.725 -0.55 . . . . 63.15 111.725 177.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 115.85 -16.47 16.05 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-O 119.669 -0.517 . . . . 63.4 112.416 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -78.54 -174.39 3.81 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 117.514 0.657 . . . . 64.21 109.913 173.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -135.69 154.09 51.39 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.173 0.589 . . . . 73.43 110.105 173.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 20.4 m -137.54 153.53 28.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 125.604 1.562 . . . . 73.11 107.403 173.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.55 129.02 34.26 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.504 0.322 . . . . 71.32 111.324 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.459 HD22 HD13 ' A' ' 134' ' ' LEU . 15.6 mt -104.67 87.43 2.68 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 124.455 1.102 . . . . 73.13 108.611 168.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.496 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 5.1 p30 -94.18 102.34 14.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.609 -1.178 . . . . 73.51 109.519 176.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.564 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 26.7 m-85 -70.52 -16.39 62.89 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 114.882 -1.054 . . . . 75.12 111.641 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.463 HD22 HD22 ' A' ' 153' ' ' LEU . 9.4 t30 -62.4 -38.45 89.7 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.136 0.575 . . . . 72.33 110.212 172.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.575 HD11 HG12 ' A' ' 19' ' ' ILE . 4.3 mm? -79.15 -6.23 56.03 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.049 0.94 . . . . 73.31 112.301 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.4 140.15 1.76 Allowed 'General case' 0 N--CA 1.48 1.036 0 O-C-N 124.879 1.362 . . . . 43.33 113.522 -171.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.584 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 88.4 t80 -96.2 138.66 33.48 Favored 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.192 -0.913 . . . . 73.35 109.27 -170.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -98.27 121.45 56.95 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 113.868 -1.514 . . . . 73.24 110.824 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . 0.448 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 47.4 Cg_endo -67.34 137.98 45.11 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.378 2.052 . . . . 70.34 110.372 164.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -80.59 -3.19 49.41 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.384 0.673 . . . . 74.22 112.639 -174.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 157' ' ' PRO . 25.6 p -62.44 -30.99 71.63 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 123.879 0.737 . . . . 61.04 110.075 169.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.8 -23.73 66.09 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 123.982 0.913 . . . . 65.24 112.549 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -92.45 1.62 57.14 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.282 1.033 . . . . 61.42 111.206 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.56 -32.71 6.69 Favored Glycine 0 C--N 1.353 1.512 0 N-CA-C 112.445 -0.262 . . . . 54.43 112.445 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -62.42 116.05 8.84 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 111.48 -0.648 . . . . 63.34 111.48 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 19.8 m -96.01 79.48 3.24 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.462 0.649 . . . . 71.41 109.359 -166.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -114.15 178.47 4.27 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 115.312 -0.858 . . . . 73.23 110.34 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 36.3 p -69.98 103.64 2.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.724 0.809 . . . . 72.03 111.976 -173.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 24.5 t -111.48 114.39 27.46 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.776 -1.194 . . . . 64.51 107.776 169.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.23 106.05 4.9 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.817 0.847 . . . . 73.35 109.817 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 57.8 mt -57.91 128.91 81.58 Favored Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 124.398 1.079 . . . . 74.22 109.837 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.92 158.36 57.69 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.878 2.386 . . . . 63.44 112.931 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -62.73 148.73 93.02 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.639 2.226 . . . . 71.3 112.234 167.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -57.05 -29.19 63.21 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.78 1.232 . . . . 71.01 113.191 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.29 -22.46 64.72 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.406 0.682 . . . . 73.35 111.341 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 102' ' ' LEU . 10.1 m120 -95.45 18.79 11.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.563 0.697 . . . . 53.4 110.347 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -86.72 109.01 18.93 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 107.316 -1.364 . . . . 72.1 107.316 169.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 58.1 t -87.47 112.31 47.42 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 124.685 1.194 . . . . 72.2 108.755 176.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -65.99 71.62 0.37 Allowed 'Trans proline' 0 C--N 1.371 1.758 0 C-N-CA 122.609 2.206 . . . . 73.01 112.414 166.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -155.21 148.77 25.22 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.338 1.455 . . . . 44.21 108.225 175.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -87.6 114.35 24.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.241 0.616 . . . . 74.3 109.645 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 151' ' ' PHE . 2.9 mp -107.06 96.15 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 N-CA-C 108.244 -1.021 . . . . 74.01 108.244 174.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 24.3 p -97.14 79.05 2.8 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.667 0.787 . . . . 62.21 109.961 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 C-N-CA 124.388 1.075 . . . . 31.21 108.465 173.171 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 tt . . . . . 0 CA--C 1.57 1.748 0 N-CA-C 109.421 -0.585 . . . . 52.41 109.421 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -77.83 126.47 8.06 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.188 1.926 . . . . 70.54 110.051 170.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -177.34 -54.94 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 126.384 1.873 . . . . 74.13 107.538 -171.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -84.52 35.98 0.56 Allowed 'Trans proline' 0 C--N 1.393 2.918 0 C-N-CA 122.285 1.99 . . . . 64.12 112.142 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 m -73.15 67.15 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 CA-C-O 123.877 1.799 . . . . 72.24 110.262 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t 171.52 103.69 0.01 OUTLIER 'General case' 0 C--O 1.241 0.655 0 CA-C-N 110.321 -3.127 . . . . 73.02 108.104 -173.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -40.91 148.04 0.11 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.792 0.837 . . . . 74.15 112.693 161.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 t -45.68 138.42 4.64 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 123.856 0.862 . . . . 74.12 110.183 171.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -49.78 -30.85 10.33 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 115.921 1.823 . . . . 63.44 115.921 -157.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -73.94 -43.33 58.64 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.695 0.398 . . . . 74.13 110.261 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -30.94 68.95 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.685 0.794 . . . . 54.3 110.965 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.555 ' O ' HG13 ' A' ' 19' ' ' ILE . 39.4 t90 -67.65 -50.21 59.03 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.753 0.821 . . . . 63.12 109.415 176.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.5 ttp85 -63.26 -35.87 81.78 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.921 0.488 . . . . 74.33 110.228 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.64 88.26 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.677 0.791 . . . . 53.1 111.248 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -66.34 -32.75 74.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.576 0.75 . . . . 75.42 111.208 174.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.65 HG12 HD11 ' A' ' 153' ' ' LEU . 46.4 mt -73.76 -43.34 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 122.571 0.348 . . . . 74.2 110.674 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.17 -32.95 74.9 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.781 0.676 . . . . 73.44 110.655 173.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.01 -36.28 69.66 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.261 0.624 . . . . 74.33 111.109 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.437 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 8.1 m80 -71.82 -32.4 67.53 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.383 0.673 . . . . 62.31 110.172 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -67.34 -50.53 59.6 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.852 -0.796 . . . . 64.23 108.852 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.21 91.05 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.647 1.217 . . . . 74.44 111.063 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.44 -58.99 5.86 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.488 1.115 . . . . 74.11 111.441 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 63.5 mmtt -61.28 -43.1 99.43 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.197 0.311 . . . . 62.23 110.235 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -50.41 -55.26 16.57 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.638 1.175 . . . . 64.22 111.293 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -77.52 -27.61 51.76 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.527 -0.76 . . . . 75.1 111.229 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -56.91 -69.43 0.16 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 124.024 0.93 . . . . 75.12 111.2 -173.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.551 HD21 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.22 -10.18 59.5 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.191 0.441 . . . . 75.05 112.191 -177.572 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.46 -26.81 26.09 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 122.747 0.419 . . . . 64.3 111.206 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -113.52 -53.01 2.73 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 112.535 0.569 . . . . 61.23 112.535 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 135.87 57.79 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.471 0.708 . . . . 74.04 111.794 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.55 -16.95 37.74 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.538 0.94 . . . . 72.41 113.538 -173.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -69.92 -30.91 68.43 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 112.604 0.594 . . . . 72.12 112.604 -172.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.3 m -157.21 68.12 4.17 Favored Pre-proline 0 N--CA 1.486 1.372 0 N-CA-C 108.156 -1.053 . . . . 62.3 108.156 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -90.18 169.35 4.24 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 123.405 2.737 . . . . 64.02 113.264 -176.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.4 HD11 HD23 ' A' ' 30' ' ' LEU . 42.6 mt -73.01 135.86 80.02 Favored Pre-proline 0 CA--C 1.554 1.1 0 N-CA-C 108.482 -0.933 . . . . 74.13 108.482 169.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.482 ' HG3' ' HE1' ' A' ' 165' ' ' PHE . 21.3 Cg_exo -63.64 146.4 92.39 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.145 1.896 . . . . 74.12 111.242 172.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.511 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 21.0 Cg_endo -55.92 -22.58 38.78 Favored 'Trans proline' 0 C--N 1.383 2.387 0 C-N-CA 124.113 3.209 . . . . 74.42 115.437 -167.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.41 81.85 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.458 0.703 . . . . 55.21 112.562 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -89.87 -29.35 18.63 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.915 0.486 . . . . 72.22 110.544 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.511 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 48.8 ttt180 -66.19 -31.23 71.94 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.679 0.792 . . . . 44.2 111.85 -177.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.13 -41.84 78.9 Favored Glycine 0 C--N 1.347 1.186 0 N-CA-C 111.848 -0.501 . . . . 74.32 111.848 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.51 22.02 2.34 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.937 0.895 . . . . 51.25 112.19 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -82.8 113.16 20.25 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.186 0.594 . . . . 75.33 109.787 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -113.61 -11.43 13.0 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.243 0.617 . . . . 75.14 110.56 172.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.03 132.24 1.73 Allowed Glycine 0 C--N 1.344 0.985 0 N-CA-C 111.422 -0.671 . . . . 73.3 111.422 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.551 HD11 HD21 ' A' ' 30' ' ' LEU . 29.1 mt -62.6 140.9 58.68 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.828 0.37 . . . . 74.21 110.435 173.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -72.67 140.81 48.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.226 -0.897 . . . . 73.51 108.749 -169.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -142.89 142.2 31.7 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.712 -0.477 . . . . 72.25 109.712 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -88.24 169.0 12.24 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 108.335 -0.987 . . . . 73.4 108.335 169.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.9 137.96 52.06 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.565 -0.902 . . . . 74.0 108.565 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.412 HG13 HG21 ' A' ' 19' ' ' ILE . 2.3 mp -60.13 124.74 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 124.396 1.06 . . . . 74.32 109.906 -172.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -131.76 125.0 30.87 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.221 0.608 . . . . 74.23 110.12 -174.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.42 -19.22 50.52 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.129 0.972 . . . . 74.23 112.757 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 t -74.47 -23.47 58.88 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.884 0.474 . . . . 74.15 110.554 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 47.8 m-85 -74.39 -0.1 16.19 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 112.395 0.516 . . . . 74.11 112.395 172.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.475 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 41.1 ttp180 -98.0 104.69 16.74 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.923 0.783 . . . . 61.42 109.465 171.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.5 m -100.68 151.74 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 109.869 -0.419 . . . . 65.11 109.869 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.85 117.86 28.14 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.204 -1.036 . . . . 22.52 108.204 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -112.26 128.65 56.32 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.615 0.766 . . . . 64.51 110.279 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -77.08 115.39 16.83 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.524 -0.917 . . . . 73.33 108.524 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -79.12 112.61 16.5 Favored 'General case' 0 C--O 1.254 1.298 0 C-N-CA 124.217 1.007 . . . . 71.4 109.447 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -112.47 104.03 55.75 Favored Pre-proline 0 CA--C 1.543 0.687 0 N-CA-C 107.965 -1.124 . . . . 73.5 107.965 172.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.91 137.48 81.18 Favored 'Trans proline' 0 C--N 1.372 1.776 0 C-N-CA 122.552 2.168 . . . . 73.44 111.171 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.57 98.57 0.52 Allowed 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.309 -0.997 . . . . 72.13 108.309 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -52.86 -32.99 47.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.957 1.303 . . . . 75.44 110.655 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -109.97 91.79 11.66 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.691 1.197 . . . . 74.42 109.153 169.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -83.23 120.72 2.96 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.019 1.813 . . . . 74.13 111.108 174.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.575 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 15.1 pt-20 -137.85 151.05 47.68 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.73 0.412 . . . . 70.01 110.783 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.565 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -80.72 109.57 15.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.817 0.847 . . . . 63.04 108.996 173.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 34.9 m -104.99 157.62 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.818 0.847 . . . . 70.35 109.845 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -98.42 109.41 22.17 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.655 0.782 . . . . 74.34 109.66 -176.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 85' ' ' TYR . 1.4 mm? -102.64 117.54 34.9 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 106.85 -1.537 . . . . 71.45 106.85 174.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.13 160.8 14.6 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.039 0.536 . . . . 74.3 110.392 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.2 p -125.79 154.68 42.23 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.634 -0.506 . . . . 65.21 109.634 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.485 HG23 HD21 ' A' ' 169' ' ' LEU . 23.8 p -68.64 -30.05 68.67 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 115.725 -0.67 . . . . 50.45 109.756 175.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -75.46 -18.27 59.91 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.854 1.262 . . . . 62.31 112.062 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 142.55 -120.03 1.51 Allowed Glycine 0 C--N 1.353 1.485 0 CA-C-O 119.036 -0.869 . . . . 62.15 113.524 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -58.78 146.62 92.0 Favored 'Trans proline' 0 C--N 1.385 2.451 0 C-N-CA 123.846 3.031 . . . . 53.55 113.77 -171.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.55 164.9 32.59 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.914 2.409 . . . . 64.14 113.444 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.87 140.33 53.09 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.907 0.883 . . . . 63.12 110.247 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.565 ' HB2' ' HB1' ' A' ' 72' ' ' ALA . 9.4 pt-20 -84.05 122.03 28.23 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.073 0.549 . . . . 74.23 110.859 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.563 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 20.0 m-85 -124.92 133.89 52.87 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 108.273 -1.01 . . . . 62.53 108.273 173.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.7 m -79.41 146.85 32.58 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.087 -0.709 . . . . 75.23 109.087 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.575 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 24.3 mtm180 -80.97 109.39 15.5 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.342 0.519 . . . . 75.13 110.088 175.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.634 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -83.11 -51.76 7.23 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.639 0.775 . . . . 70.53 111.092 178.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.7 176.37 11.6 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.075 -0.966 . . . . 72.22 111.146 -169.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.3 t -134.96 117.05 21.45 Favored 'Isoleucine or valine' 0 C--O 1.248 1.026 0 N-CA-C 106.104 -1.813 . . . . 75.23 106.104 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.536 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.1 mm? -89.67 116.38 27.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.671 0.789 . . . . 74.32 109.492 178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.14 120.03 6.22 Favored Glycine 0 C--N 1.341 0.838 0 N-CA-C 110.048 -1.221 . . . . 51.11 110.048 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.428 ' HE1' ' HG ' ' A' ' 102' ' ' LEU . 26.8 p90 -150.09 -174.67 4.79 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.228 0.611 . . . . 74.33 109.363 -171.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -129.17 152.46 48.73 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.077 0.551 . . . . 73.32 109.623 170.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.528 HD23 HG11 ' A' ' 176' ' ' VAL . 33.3 tp -167.96 140.33 3.08 Favored 'General case' 0 C--O 1.252 1.197 0 N-CA-C 108.016 -1.105 . . . . 75.35 108.016 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.34 -101.92 1.54 Allowed Glycine 0 C--N 1.343 0.953 0 N-CA-C 110.889 -0.884 . . . . 43.21 110.889 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -133.62 3.51 3.56 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.399 1.08 . . . . 71.51 109.609 170.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.7 m -112.73 134.19 54.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.624 0.369 . . . . 61.11 111.547 -171.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -85.71 110.53 19.38 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 106.657 -1.609 . . . . 64.1 106.657 166.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -128.68 157.84 40.24 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.807 0.443 . . . . 74.12 109.906 -166.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.0 p -117.89 144.19 45.65 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.984 0.514 . . . . 70.32 110.536 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.428 ' HG ' ' HE1' ' A' ' 93' ' ' PHE . 88.8 mt -122.44 128.98 51.57 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.017 -1.105 . . . . 63.41 108.017 169.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.6 m -80.61 128.51 33.69 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.191 -0.67 . . . . 72.02 109.191 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.87 124.31 37.8 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.065 -1.087 . . . . 73.32 108.065 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.563 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 60.9 m-85 -101.53 135.51 42.92 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.05 0.54 . . . . 71.35 110.674 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.634 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 43.1 ttm180 -91.24 130.18 37.14 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.044 -1.095 . . . . 75.0 108.044 175.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 47.2 t -110.48 128.46 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 108.153 -1.054 . . . . 42.15 108.153 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.82 133.07 55.75 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.477 0.711 . . . . 75.45 110.486 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 84.67 -38.43 2.93 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-N 116.404 -0.362 . . . . 75.34 113.418 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.547 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 11.5 tp10 -85.96 119.59 26.43 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.772 0.829 . . . . 51.2 110.055 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.1 m -71.12 -24.73 62.34 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.866 0.866 . . . . 72.41 112.013 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 m -89.58 151.66 21.81 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.971 0.508 . . . . 61.41 110.624 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 75.8 mt -91.19 132.64 35.96 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.943 0.897 . . . . 73.45 110.002 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -91.78 104.35 16.81 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 107.368 -1.345 . . . . 64.2 107.368 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.9 t -102.34 95.13 5.53 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 108.077 -1.083 . . . . 63.34 108.077 176.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -82.82 132.01 6.33 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.316 2.011 . . . . 51.15 110.385 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 132' ' ' ARG . 29.2 p90 -153.08 159.79 42.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.361 0.6 . . . . 74.21 110.919 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.1 p -121.15 161.05 22.5 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.58 -1.191 . . . . 65.31 107.918 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 4.8 p-10 -150.99 -167.66 2.88 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.788 0.835 . . . . 54.55 109.067 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -68.06 -36.64 80.21 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.015 0.371 . . . . 75.42 111.494 -175.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.9 m -69.63 -27.71 65.29 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.453 0.701 . . . . 74.24 110.609 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' A' ' 127' ' ' THR . 27.0 p -81.95 -39.15 24.12 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 116.017 -0.538 . . . . 72.4 110.523 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.47 -32.15 68.48 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.417 0.687 . . . . 61.22 111.269 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.76 -24.57 60.97 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.732 0.813 . . . . 73.31 111.444 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.556 ' HA2' ' HB2' ' A' ' 129' ' ' GLU . . . 82.17 3.85 90.42 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 116.33 1.292 . . . . 73.41 116.33 -177.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -92.57 -7.49 46.99 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 118.225 1.012 . . . . 73.24 112.198 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' ' 122' ' ' THR . 85.3 m -147.94 129.3 14.8 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 118.131 -0.938 . . . . 71.2 108.944 171.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 33.0 54.09 0.39 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 126.111 1.764 . . . . 74.33 114.502 171.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.556 ' HB2' ' HA2' ' A' ' 125' ' ' GLY . 18.7 tt0 -55.07 -51.77 65.31 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.28 1.032 . . . . 74.11 113.054 -170.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -71.0 -8.63 54.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.619 0.768 . . . . 72.31 112.42 -175.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.01 148.1 4.67 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.806 -0.918 . . . . 43.43 110.806 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 14.8 ttm-85 -119.22 158.5 25.87 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 106.256 -1.757 . . . . 74.54 106.256 173.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -117.42 169.73 9.28 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.429 0.633 . . . . 71.31 109.94 170.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.494 HD13 HD22 ' A' ' 149' ' ' LEU . 2.9 tt -144.29 122.37 12.14 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 105.986 -1.857 . . . . 43.24 105.986 165.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.418 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 7.2 p-10 -89.47 110.5 21.32 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 107.699 -1.223 . . . . 72.11 107.699 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.5 t -101.8 127.52 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 108.921 -0.77 . . . . 62.34 108.921 -177.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -81.88 112.08 31.99 Favored Pre-proline 0 C--O 1.241 0.632 0 N-CA-C 106.205 -1.776 . . . . 71.52 106.205 171.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -58.74 -29.6 90.12 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.644 2.229 . . . . 74.35 112.769 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 50.36 37.16 14.66 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.587 1.155 . . . . 62.42 111.814 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.71 45.06 55.08 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-N 115.241 -0.891 . . . . 72.01 114.435 -173.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -79.53 146.57 32.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.6 0.36 . . . . 60.1 110.688 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -129.29 -169.14 2.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.197 0.999 . . . . 73.44 109.947 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.66 99.03 0.23 Allowed Glycine 0 C--N 1.357 1.703 0 O-C-N 123.835 0.71 . . . . 72.25 113.872 -172.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 101.38 8.65 46.27 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-O 119.734 -0.481 . . . . 65.45 113.634 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -80.91 172.56 13.59 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 107.069 -1.456 . . . . 52.44 107.069 161.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -137.66 156.33 48.16 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.7 0.762 . . . . 74.33 111.001 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.24 172.82 15.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 114.503 -1.226 . . . . 62.43 109.041 -174.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.85 118.37 31.35 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 122.796 0.438 . . . . 73.23 110.424 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.494 HD22 HD13 ' A' ' 134' ' ' LEU . 14.3 mt -93.43 85.2 4.88 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 106.925 -1.509 . . . . 72.24 106.925 164.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 12.9 t0 -90.63 102.01 14.76 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.93 -1.032 . . . . 73.35 108.331 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 21.2 m-85 -73.55 -17.61 61.18 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.865 0.866 . . . . 73.21 111.327 -177.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.432 ' ND2' HD13 ' A' ' 19' ' ' ILE . 6.3 t30 -71.33 -25.65 62.49 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.078 0.551 . . . . 64.42 109.912 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.65 HD11 HG12 ' A' ' 19' ' ' ILE . 3.1 mm? -106.54 19.2 20.86 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.871 0.868 . . . . 70.41 112.008 174.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.94 148.91 7.02 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.264 0.626 . . . . 52.54 112.309 171.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -100.1 162.08 13.2 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.741 0.816 . . . . 73.01 109.478 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -121.52 133.32 24.2 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 124.402 1.081 . . . . 75.23 112.158 -164.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -78.98 146.74 20.62 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.663 2.242 . . . . 72.14 112.106 168.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.438 ' HE1' HD12 ' A' ' 30' ' ' LEU . 85.1 m-85 -81.03 -6.23 58.55 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 112.697 0.628 . . . . 74.0 112.697 -177.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 48.7 t -69.07 -33.9 74.29 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.138 0.575 . . . . 50.23 109.534 168.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -82.48 11.23 5.86 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.459 1.104 . . . . 64.13 112.535 -175.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . 0.425 ' CE2' ' HG ' ' A' ' 30' ' ' LEU . 35.2 m-85 -101.66 12.29 37.42 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.796 0.838 . . . . 73.31 111.422 173.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 79.46 49.29 6.28 Favored Glycine 0 C--N 1.349 1.263 0 N-CA-C 111.4 -0.68 . . . . 74.04 111.4 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -160.5 172.58 36.92 Favored Glycine 0 C--N 1.343 0.93 0 CA-C-N 115.275 -0.462 . . . . 61.0 112.231 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 24.5 p -105.39 68.01 0.79 Allowed 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.993 0.902 . . . . 72.42 109.045 -173.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.482 ' HE1' ' HG3' ' A' ' 39' ' ' PRO . 71.9 m-85 -105.89 157.42 17.5 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.754 -1.112 . . . . 74.22 110.334 176.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.7 p -75.4 127.51 33.3 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.783 -1.099 . . . . 53.33 110.986 -174.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.1 p -134.85 123.93 24.26 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.188 -1.041 . . . . 73.2 108.188 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -68.07 99.34 0.86 Allowed 'General case' 0 C--O 1.244 0.764 0 N-CA-C 108.8 -0.815 . . . . 62.32 108.8 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.485 HD21 HG23 ' A' ' 78' ' ' THR . 82.1 mt -59.51 123.31 70.13 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.364 1.065 . . . . 74.13 110.096 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.71 142.83 78.47 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.398 2.065 . . . . 74.52 111.725 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.66 157.11 48.88 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.063 1.842 . . . . 61.31 111.456 168.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.6 66.68 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.979 0.912 . . . . 63.51 112.5 -176.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.16 -15.4 61.96 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.955 0.902 . . . . 64.3 111.227 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -96.69 28.62 3.33 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.909 0.883 . . . . 70.42 110.28 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -103.45 109.07 20.58 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.673 -0.492 . . . . 74.22 109.673 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.528 HG11 HD23 ' A' ' 95' ' ' LEU . 39.1 t -83.94 125.91 71.7 Favored Pre-proline 0 CA--C 1.547 0.836 0 N-CA-C 108.306 -0.998 . . . . 71.33 108.306 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -77.94 66.37 8.21 Favored 'Trans proline' 0 CA--C 1.555 1.572 0 C-N-CA 122.585 2.19 . . . . 73.21 111.899 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.507 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -152.0 149.51 28.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.138 0.975 . . . . 62.0 109.732 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.11 108.64 20.01 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.838 0.455 . . . . 70.41 110.375 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' A' ' 151' ' ' PHE . 2.4 mp -98.28 96.54 5.24 Favored 'Isoleucine or valine' 0 C--O 1.244 0.797 0 N-CA-C 108.022 -1.103 . . . . 64.11 108.022 178.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 61.3 p -94.99 76.27 3.53 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.516 -0.765 . . . . 63.51 111.053 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.599 0 CA-C-N 114.896 -1.047 . . . . 72.01 108.203 172.075 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.8 mt . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 110.359 -0.237 . . . . 55.4 110.359 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.56 ' HG3' ' HB2' ' A' ' 141' ' ' ALA . 52.9 Cg_endo -69.59 127.39 14.66 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 122.574 2.183 . . . . 72.32 110.602 178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -177.18 -56.25 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.41 0 C-N-CA 125.498 1.519 . . . . 74.13 108.479 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -89.44 25.58 0.59 Allowed 'Trans proline' 0 C--N 1.398 3.134 0 C-N-CA 122.265 1.977 . . . . 71.51 111.853 174.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.7 -19.07 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.799 0.84 . . . . 72.33 111.284 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 t -83.42 79.66 9.34 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 106.455 -1.683 . . . . 70.15 106.455 157.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 2.2 t0 -33.22 163.36 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 127.493 2.317 . . . . 74.13 116.072 -175.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -55.08 132.15 46.63 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.303 -0.862 . . . . 74.3 109.004 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -40.94 -37.16 0.75 Allowed 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 115.493 1.664 . . . . 73.14 115.493 -162.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.06 -59.11 5.24 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.533 0.733 . . . . 63.31 110.571 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -72.84 -22.99 60.71 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 114.989 -1.005 . . . . 52.51 111.081 -178.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.44 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 46.0 t90 -67.52 -47.71 69.13 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.338 1.055 . . . . 73.02 109.852 174.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.484 ' HA ' HD12 ' A' ' 19' ' ' ILE . 21.6 ttt180 -67.35 -27.93 67.54 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.564 -0.744 . . . . 74.42 109.807 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.9 78.1 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 122.999 0.52 . . . . 50.34 112.325 168.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 26.8 mmt180 -60.46 -46.2 90.93 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 109.528 -0.545 . . . . 62.22 109.528 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.583 HG12 ' HG ' ' A' ' 153' ' ' LEU . 73.6 mt -57.06 -53.48 42.68 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-N 114.318 -1.31 . . . . 71.33 109.892 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.96 75.55 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.033 0.833 . . . . 34.45 111.844 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.38 -50.87 62.05 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.273 0.629 . . . . 70.44 111.262 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -63.8 -47.56 80.38 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.047 0.539 . . . . 63.4 111.497 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -47.95 -58.38 4.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.661 1.585 . . . . 63.42 111.285 172.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.01 -34.82 71.71 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.881 0.738 . . . . 61.51 111.763 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.47 -52.78 63.11 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.345 0.658 . . . . 75.42 110.924 174.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -72.58 -20.53 61.29 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.718 -0.674 . . . . 75.25 111.064 -177.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.62 -47.58 59.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.283 1.033 . . . . 75.02 110.074 172.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -85.71 -12.69 50.52 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.879 -0.601 . . . . 65.54 112.259 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.499 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 81.0 t80 -56.29 -42.32 77.35 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.175 0.59 . . . . 51.31 112.356 -177.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.695 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -90.15 -16.31 29.81 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.457 0.54 . . . . 63.45 112.457 177.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -58.73 2.44 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.892 0.477 . . . . 42.14 111.487 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -91.73 -59.14 2.2 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.817 0.847 . . . . 74.13 110.746 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 80.3 m80 -55.3 122.83 12.0 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 123.658 0.783 . . . . 61.34 111.488 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -72.48 -6.11 41.48 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.352 1.061 . . . . 71.33 112.267 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -59.26 -29.29 67.45 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.241 1.016 . . . . 73.4 112.625 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -157.42 77.05 3.88 Favored Pre-proline 0 CA--C 1.553 1.062 0 N-CA-C 108.984 -0.747 . . . . 75.13 108.984 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.16 124.49 14.47 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.541 2.161 . . . . 75.24 112.047 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.695 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 17.2 tt -72.72 140.28 81.21 Favored Pre-proline 0 CA--C 1.556 1.194 0 CA-C-O 118.511 -0.757 . . . . 73.43 109.695 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -54.66 145.63 58.58 Favored 'Trans proline' 0 C--N 1.388 2.653 0 C-N-CA 122.806 2.337 . . . . 74.21 112.047 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -54.63 -24.91 39.1 Favored 'Trans proline' 0 C--N 1.384 2.404 0 C-N-CA 123.822 3.015 . . . . 72.33 113.885 -174.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.87 -50.7 72.35 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.53 0.732 . . . . 70.43 111.215 176.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -90.2 -21.9 21.95 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.778 -0.646 . . . . 74.45 111.373 -175.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -60.03 -40.58 89.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.015 0.526 . . . . 75.41 110.055 166.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.26 -41.94 58.45 Favored Glycine 0 C--N 1.347 1.189 0 CA-C-N 115.737 -0.665 . . . . 33.42 112.183 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.0 18.38 2.52 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.853 0.861 . . . . 60.21 112.732 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -74.4 101.54 4.13 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.789 0.836 . . . . 73.32 109.779 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -121.92 -27.6 4.59 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.793 0.837 . . . . 53.4 109.568 170.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.2 125.8 0.86 Allowed Glycine 0 C--N 1.342 0.892 0 N-CA-C 110.087 -1.205 . . . . 61.34 110.087 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.442 ' HG ' HD21 ' A' ' 30' ' ' LEU . 4.1 mm? -85.31 -175.27 5.63 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.506 0.723 . . . . 65.54 111.508 -174.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.643 ' HB2' HD21 ' A' ' 156' ' ' ASN . 9.6 mmm-85 -88.0 114.33 24.51 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.193 0.52 . . . . 71.41 111.129 -165.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -163.49 135.46 5.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.663 1.585 . . . . 72.24 107.871 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -75.72 159.66 30.86 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.147 0.579 . . . . 75.15 111.204 -173.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -75.02 158.21 33.58 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.735 -0.666 . . . . 73.35 110.35 -174.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.12 134.4 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.936 0.894 . . . . 63.52 110.918 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -162.72 121.24 2.13 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.147 0.579 . . . . 74.53 109.996 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.74 -5.99 56.35 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.14 0.976 . . . . 75.24 112.553 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.9 m -70.99 -50.5 33.57 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.497 0.319 . . . . 75.22 111.435 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.773 ' HB2' ' HB2' ' A' ' 152' ' ' ASN . 94.8 m-85 -88.16 27.78 1.16 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.874 0.694 . . . . 74.24 112.874 -171.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 32.7 ptt180 -104.94 97.56 7.41 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.51 -0.922 . . . . 74.4 108.51 169.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -102.63 178.55 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.999 -0.741 . . . . 73.5 108.999 178.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.15 138.52 54.15 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.88 -0.785 . . . . 72.21 108.88 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.83 145.2 49.89 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.291 1.037 . . . . 74.52 109.204 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -75.98 126.16 30.47 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.468 -0.568 . . . . 74.13 109.468 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.422 ' HB3' ' O ' ' A' ' 145' ' ' ASP . 35.7 t80 -84.76 120.87 26.92 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 123.932 0.893 . . . . 63.11 108.615 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -115.77 99.27 52.37 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.432 1.093 . . . . 65.24 108.083 174.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -66.12 141.15 62.33 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.464 2.109 . . . . 73.51 111.136 -175.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 95.74 0.68 Allowed 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.664 -0.865 . . . . 73.12 108.664 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -59.35 -27.16 65.68 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.584 1.153 . . . . 75.21 111.365 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -136.35 88.48 20.72 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 123.781 0.832 . . . . 71.23 108.846 170.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -79.82 148.59 20.03 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 123.031 2.488 . . . . 71.41 112.827 -175.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 158.2 44.13 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.447 0.699 . . . . 73.51 110.984 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.51 113.01 24.34 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.614 0.766 . . . . 75.21 109.863 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 m -105.0 154.1 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 124.23 1.012 . . . . 74.31 108.711 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -106.24 128.01 53.64 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 109.223 -0.658 . . . . 55.42 109.223 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.512 ' HB2' ' HB1' ' A' ' 168' ' ' ALA . 1.3 mm? -114.22 122.88 48.11 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 106.937 -1.505 . . . . 74.13 106.937 175.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.76 149.4 44.05 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 109.844 -0.428 . . . . 73.32 109.844 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 167' ' ' CYS . 58.3 p -119.31 164.35 15.81 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 120.887 0.375 . . . . 70.34 111.359 -173.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.7 p -77.26 -26.28 52.34 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.398 -0.819 . . . . 71.02 110.015 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.537 ' HB2' ' HA ' ' A' ' 166' ' ' SER . 23.4 tpt180 -71.86 -31.43 66.46 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.641 1.176 . . . . 73.32 112.249 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.99 -122.07 1.41 Allowed Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.414 -1.214 . . . . 74.32 111.907 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.37 151.45 44.79 Favored 'Trans proline' 0 C--N 1.384 2.407 0 C-N-CA 123.541 2.827 . . . . 74.12 112.534 -178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.29 157.76 56.0 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.604 2.203 . . . . 73.14 112.903 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.4 123.72 48.35 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.143 0.977 . . . . 50.23 108.587 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.86 122.81 32.63 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.784 0.434 . . . . 74.12 111.004 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.71 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 61.9 m-85 -122.38 134.34 54.62 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.736 1.214 . . . . 74.15 108.128 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -86.02 132.22 34.1 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 108.474 -0.935 . . . . 43.45 108.474 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -68.79 114.17 6.89 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.838 -0.43 . . . . 74.13 109.838 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.83 -50.27 9.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.636 0.774 . . . . 74.21 111.345 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -163.18 177.46 9.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.538 -0.755 . . . . 51.43 110.591 -171.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.629 HG12 HG22 ' A' ' 101' ' ' THR . 3.0 t -134.06 125.2 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 N-CA-C 107.722 -1.214 . . . . 73.13 107.722 172.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -98.14 121.81 40.51 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.821 0.848 . . . . 74.21 111.191 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.8 122.6 7.63 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 111.602 -0.599 . . . . 71.13 111.602 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.614 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 31.5 p90 -144.78 172.44 13.0 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 117.417 0.608 . . . . 72.4 110.911 -176.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -111.98 149.76 31.52 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.324 1.05 . . . . 53.31 108.64 171.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.454 HD13 HG11 ' A' ' 176' ' ' VAL . 1.0 OUTLIER -166.61 117.29 0.94 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 107.695 -1.224 . . . . 75.01 107.695 -179.009 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.14 -111.43 4.01 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.237 0.335 . . . . 64.51 112.949 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.34 19.74 13.94 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.157 0.983 . . . . 74.1 109.279 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.7 m -122.38 127.98 50.39 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.384 0.674 . . . . 71.21 111.497 -175.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -96.03 112.06 23.9 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 105.794 -1.928 . . . . 71.54 105.794 161.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -130.66 150.25 51.94 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.822 -0.549 . . . . 73.54 109.83 -168.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.629 HG22 HG12 ' A' ' 90' ' ' VAL . 0.3 OUTLIER -120.39 129.65 54.03 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 106.467 -1.679 . . . . 54.01 106.467 -178.463 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.614 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 9.6 tp -117.96 129.28 55.51 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.606 0.762 . . . . 54.24 108.958 -166.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.7 m -84.24 116.46 22.97 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 109.511 -0.552 . . . . 64.03 109.511 -173.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.01 124.62 40.1 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.467 1.107 . . . . 62.1 108.662 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.71 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 38.6 m-85 -99.63 168.87 9.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.424 0.631 . . . . 61.31 110.216 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.526 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 33.5 ttm180 -116.08 133.16 56.33 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.682 1.193 . . . . 65.3 108.333 -171.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 110' ' ' GLU . 1.9 m -128.16 132.13 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.221 -1.029 . . . . 74.51 108.221 167.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -89.66 162.25 15.69 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.273 0.629 . . . . 70.13 110.058 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 75.5 -40.91 1.34 Allowed Glycine 0 CA--C 1.536 1.348 0 CA-C-N 115.757 -0.656 . . . . 70.24 112.354 -164.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.435 ' HB2' HG23 ' A' ' 107' ' ' VAL . 54.1 mm-40 -79.31 128.82 33.8 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.759 0.823 . . . . 71.34 108.905 162.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.2 m -79.24 -4.49 50.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.852 0.461 . . . . 55.03 110.917 166.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.6 m -93.44 144.55 25.24 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.843 0.857 . . . . 73.41 110.53 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.498 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 56.5 mt -89.04 139.25 30.65 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.104 0.962 . . . . 74.5 108.976 175.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.77 106.43 18.42 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.035 -1.098 . . . . 73.4 108.035 -176.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.66 95.48 27.99 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 123.718 0.807 . . . . 62.41 109.071 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 73.2 Cg_endo -86.87 132.36 3.36 Favored 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 122.793 2.329 . . . . 73.21 110.936 171.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.424 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 42.2 p90 -146.33 167.95 22.29 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.572 0.349 . . . . 74.44 110.393 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.8 p -130.28 152.95 49.14 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 109.326 -0.62 . . . . 63.43 109.326 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -145.97 -168.91 3.11 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.406 0.682 . . . . 73.24 110.632 -173.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.54 -22.87 40.43 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.193 0.442 . . . . 74.42 112.193 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.26 -32.29 66.54 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.64 0.376 . . . . 63.23 110.006 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.3 p -66.59 -37.72 85.52 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 122.774 0.429 . . . . 71.03 110.267 171.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.19 -40.39 89.85 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.111 0.564 . . . . 71.42 111.338 174.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.96 -26.52 62.3 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.04 0.536 . . . . 73.53 111.278 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.39 -0.02 89.85 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 114.83 0.692 . . . . 71.33 114.83 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -77.02 -5.88 50.5 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 117.896 0.848 . . . . 72.13 110.976 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 68.3 p -127.59 158.99 36.0 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 107.582 -1.266 . . . . 51.14 107.582 160.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.475 ' CG ' ' HB2' ' A' ' 160' ' ' ALA . 33.1 t80 -54.78 113.33 1.28 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.934 0.494 . . . . 74.24 110.908 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -23.1 63.6 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 114.75 -1.113 . . . . 64.15 113.559 -163.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.404 ' HB2' ' CE2' ' A' ' 128' ' ' TYR . 53.9 m-70 -70.79 -12.98 61.87 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.167 0.432 . . . . 71.23 112.167 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.67 171.41 18.16 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-O 121.435 0.464 . . . . 75.31 113.831 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 2.5 tpp180 -116.05 156.35 26.49 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.618 1.567 . . . . 64.31 109.453 172.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -121.06 157.34 30.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.616 1.566 . . . . 61.41 109.151 168.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.424 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 1.9 tt -151.66 129.98 12.04 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 106.808 -1.552 . . . . 75.53 106.808 169.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.29 116.62 29.83 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 107.202 -1.407 . . . . 65.22 107.202 175.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.28 123.41 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 109.318 -0.623 . . . . 72.31 109.318 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -82.93 118.16 70.85 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 107.512 -1.292 . . . . 74.44 107.512 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.498 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 26.8 Cg_endo -60.42 -25.79 81.24 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 122.746 2.297 . . . . 63.32 112.934 -176.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 49.62 37.48 12.75 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.594 1.158 . . . . 40.45 113.017 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 54.48 37.15 59.73 Favored Glycine 0 C--N 1.352 1.417 0 N-CA-C 115.155 0.822 . . . . 74.24 115.155 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.56 ' HB2' ' HG3' ' A' ' 5' ' ' PRO . . . -79.5 152.76 30.02 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.942 0.497 . . . . 62.22 111.224 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -131.65 -164.96 1.51 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.62 0.768 . . . . 74.44 109.168 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.73 93.76 0.04 OUTLIER Glycine 0 C--N 1.356 1.652 0 O-C-N 124.183 0.927 . . . . 24.32 113.643 -173.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.89 4.8 31.44 Favored Glycine 0 C--N 1.35 1.313 0 N-CA-C 114.753 0.661 . . . . 72.01 114.753 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 22.1 m-20 -92.41 131.98 37.13 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 106.926 -1.509 . . . . 72.11 106.926 173.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -99.71 145.34 27.75 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.301 0.955 . . . . 75.13 111.375 -171.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.99 160.48 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.245 1.018 . . . . 63.52 108.918 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.82 120.4 24.02 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.886 0.475 . . . . 52.32 111.283 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.2 mt -99.76 86.33 3.29 Favored 'General case' 0 C--O 1.247 0.93 0 C-N-CA 124.029 0.932 . . . . 74.11 108.925 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.447 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 3.2 m-20 -78.68 92.86 4.81 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 114.925 -1.034 . . . . 71.31 109.283 173.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.648 ' HB3' HG21 ' A' ' 180' ' ' ILE . 20.6 m-85 -75.68 -22.67 56.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.671 0.388 . . . . 74.42 111.074 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.773 ' HB2' ' HB2' ' A' ' 58' ' ' PHE . 25.2 t30 -63.9 -37.68 88.29 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.871 -0.604 . . . . 70.23 110.507 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.583 ' HG ' HG12 ' A' ' 19' ' ' ILE . 1.9 mm? -100.83 14.48 31.58 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.103 -0.953 . . . . 70.12 110.832 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.09 135.0 54.0 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 108.373 -0.973 . . . . 74.54 108.373 167.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -99.2 159.61 14.86 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.411 0.624 . . . . 64.34 109.344 -169.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.691 HD22 ' H ' ' A' ' 156' ' ' ASN . 0.0 OUTLIER -97.5 142.26 24.28 Favored Pre-proline 0 C--N 1.312 -1.023 0 N-CA-C 108.145 -1.057 . . . . 62.21 108.145 169.546 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . 0.438 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 99.9 Cg_exo -48.9 153.83 3.57 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 123.618 2.879 . . . . 74.43 114.535 176.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -64.93 -17.18 64.13 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 113.928 1.084 . . . . 75.25 113.928 -174.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 37.1 t -70.47 -11.36 60.87 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 122.983 0.513 . . . . 74.11 111.256 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.475 ' HB2' ' CG ' ' A' ' 128' ' ' TYR . . . -92.32 -0.12 57.41 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.028 0.931 . . . . 71.25 112.003 176.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -93.47 3.96 54.72 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.558 0.743 . . . . 74.45 109.66 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 119.33 -27.14 7.1 Favored Glycine 0 C--N 1.356 1.649 0 CA-C-N 115.502 -0.772 . . . . 71.21 112.281 172.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -97.64 -175.52 33.94 Favored Glycine 0 C--N 1.349 1.25 0 C-N-CA 122.91 0.291 . . . . 71.35 112.957 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 16.4 m -112.41 78.22 1.11 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.967 0.907 . . . . 71.33 109.182 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.558 ' HZ ' ' HA ' ' A' ' 38' ' ' ILE . 98.3 m-85 -96.49 176.53 6.0 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.003 0.521 . . . . 75.23 111.122 -177.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 79' ' ' ARG . 56.2 p -74.46 111.21 9.42 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.469 0.708 . . . . 53.44 111.093 -178.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 157' ' ' PRO . 39.0 m -126.6 111.52 14.44 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 108.695 -0.854 . . . . 32.42 108.695 178.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 75' ' ' LEU . . . -78.25 106.6 10.27 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 109.273 -0.64 . . . . 73.44 109.273 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 61.8 mt -59.85 127.27 85.16 Favored Pre-proline 0 CA--C 1.55 0.946 0 O-C-N 124.544 1.152 . . . . 75.12 110.069 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -67.9 151.92 77.67 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.92 2.413 . . . . 71.4 112.902 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -67.08 157.08 63.47 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 122.585 2.19 . . . . 72.13 111.47 168.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.02 65.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.276 0.63 . . . . 55.42 111.281 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.58 -22.51 66.13 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.423 1.089 . . . . 73.24 111.066 172.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -99.56 19.0 16.55 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.951 0.901 . . . . 72.23 110.335 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -93.05 118.75 31.54 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.396 -0.594 . . . . 73.21 109.396 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.454 HG11 HD13 ' A' ' 95' ' ' LEU . 40.7 t -96.36 121.02 61.33 Favored Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 107.602 -1.258 . . . . 73.12 107.602 171.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -78.65 61.43 7.99 Favored 'Trans proline' 0 C--N 1.372 1.796 0 C-N-CA 122.825 2.35 . . . . 74.1 112.016 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -151.59 145.72 25.32 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.937 1.295 . . . . 75.33 108.435 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -93.15 118.29 31.06 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.139 0.576 . . . . 70.25 109.75 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . 0.648 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -96.97 93.64 3.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 N-CA-C 106.526 -1.657 . . . . 51.43 106.526 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 20.8 p -89.21 78.29 7.34 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.62 0.724 . . . . 72.34 110.846 -174.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 106.159 -1.793 . . . . 71.53 106.159 173.387 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.244 0.795 0 N-CA-C 108.132 -1.062 . . . . 74.04 108.132 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HG3' ' HB2' ' A' ' 141' ' ' ALA . 72.6 Cg_endo -71.81 122.79 8.83 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.969 1.779 . . . . 74.34 111.209 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.443 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 51.6 mt -161.08 -56.95 0.02 OUTLIER Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.427 1.491 . . . . 71.34 107.731 -179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 28.8 Cg_endo -88.5 30.69 0.42 Allowed 'Trans proline' 0 C--N 1.403 3.445 0 C-N-CA 121.94 1.76 . . . . 65.22 112.57 174.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 m -58.58 -33.3 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 108.924 -0.769 . . . . 53.41 108.924 167.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.466 HG21 ' HD2' ' A' ' 59' ' ' ARG . 10.2 t -91.95 96.4 10.35 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 107.783 -1.191 . . . . 43.21 107.783 163.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.1 m-20 -39.47 159.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 115.536 1.68 . . . . 62.41 115.536 174.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -49.96 138.84 14.75 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 114.571 -1.195 . . . . 73.44 110.428 169.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -43.73 -39.06 3.49 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 114.742 1.386 . . . . 74.53 114.742 -167.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.68 -57.35 13.05 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.699 0.761 . . . . 71.31 110.621 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -69.78 -25.09 63.63 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 114.442 -1.254 . . . . 63.11 111.865 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.486 ' O ' HG13 ' A' ' 19' ' ' ILE . 31.7 t90 -75.98 -47.94 23.03 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.364 1.066 . . . . 64.21 109.923 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -58.98 -36.0 74.13 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.714 0.633 . . . . 65.2 109.939 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.56 83.1 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 123.762 0.664 . . . . 74.22 112.054 172.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 2.8 mmp_? -58.6 -48.35 81.26 Favored 'General case' 0 C--N 1.371 1.527 0 N-CA-C 109.699 -0.482 . . . . 65.23 109.699 174.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 15' ' ' TRP . 25.0 mt -65.77 -50.89 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 124.121 0.888 . . . . 72.31 110.794 -176.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 -49.55 71.59 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.048 0.939 . . . . 62.25 112.043 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.72 -45.4 75.18 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.844 0.458 . . . . 43.31 110.946 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.47 -48.78 79.55 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.622 0.769 . . . . 72.21 111.217 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 13.9 ptt180 -70.54 -35.99 73.43 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 119.0 -0.524 . . . . 74.33 110.744 -175.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.52 81.98 Favored 'General case' 0 C--N 1.359 0.984 0 O-C-N 123.581 0.551 . . . . 72.44 110.821 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.27 -47.55 85.52 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.737 1.215 . . . . 72.4 110.116 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 158' ' ' PHE . 42.8 mmtm -79.19 -16.34 56.72 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.87 -1.059 . . . . 73.44 112.219 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 23' ' ' ARG . 7.4 t70 -77.0 -45.78 26.14 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 110.11 -0.33 . . . . 65.11 110.11 174.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.18 -27.94 61.05 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 115.726 -0.67 . . . . 73.12 110.105 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -40.44 -64.33 0.53 Allowed 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.954 1.701 . . . . 75.21 113.53 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.697 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -58.32 -19.71 37.18 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 112.47 0.544 . . . . 62.21 112.47 -174.305 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.79 -42.99 8.83 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.248 0.619 . . . . 62.44 111.419 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.6 p -100.29 12.7 36.5 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.549 1.139 . . . . 74.14 112.191 -170.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -144.56 132.99 21.95 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.668 -0.696 . . . . 75.33 111.069 -175.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.35 -8.3 59.63 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.302 -1.317 . . . . 60.34 110.695 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -60.51 -36.54 78.59 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 123.7 0.8 . . . . 64.53 110.78 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.1 m -157.64 79.23 3.44 Favored Pre-proline 0 CA--C 1.549 0.939 0 N-CA-C 107.541 -1.281 . . . . 72.45 107.541 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -78.79 153.01 25.71 Favored 'Trans proline' 0 C--N 1.374 1.881 0 C-N-CA 122.885 2.39 . . . . 63.15 113.222 -171.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.433 HG23 ' HB2' ' A' ' 43' ' ' ARG . 14.8 tt -95.55 135.26 23.25 Favored Pre-proline 0 CA--C 1.565 1.532 0 CA-C-N 114.817 -1.083 . . . . 64.23 108.159 172.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.09 149.81 51.36 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 123.624 2.882 . . . . 73.25 112.901 -175.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.82 -31.6 26.84 Favored 'Trans proline' 0 C--N 1.384 2.397 0 C-N-CA 124.406 3.404 . . . . 61.3 114.818 -171.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.23 -47.27 65.21 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.83 0.452 . . . . 74.42 111.291 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -81.88 -24.02 35.96 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.731 0.413 . . . . 71.11 109.974 -177.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.433 ' HB2' HG23 ' A' ' 38' ' ' ILE . 67.1 ttt180 -68.57 -34.91 76.64 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.109 0.964 . . . . 73.53 110.762 170.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.97 -42.0 60.47 Favored Glycine 0 C--N 1.347 1.176 0 N-CA-C 111.356 -0.698 . . . . 75.35 111.356 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.54 14.04 10.74 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.512 0.725 . . . . 71.35 112.058 176.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -73.0 117.31 14.57 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 121.452 0.644 . . . . 64.32 110.834 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -116.49 -63.14 1.49 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.101 -1.409 . . . . 73.43 107.904 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.68 148.56 7.93 Favored Glycine 0 C--N 1.341 0.857 0 CA-C-N 115.318 -0.855 . . . . 63.51 111.805 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -87.31 151.01 23.47 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.492 0.717 . . . . 72.52 110.241 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -79.2 148.36 32.29 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.642 -0.708 . . . . 63.43 110.317 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -129.24 131.41 47.04 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 108.013 -1.106 . . . . 63.12 108.013 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -65.55 162.06 18.91 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.121 0.569 . . . . 70.41 109.911 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.87 122.05 16.84 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.855 0.862 . . . . 73.2 110.781 -173.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.449 HG21 HD13 ' A' ' 19' ' ' ILE . 38.9 mt -67.61 112.32 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 124.013 0.925 . . . . 62.43 110.071 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -113.74 130.01 56.49 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.275 -0.875 . . . . 73.53 111.002 -168.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.69 -27.01 45.02 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.14 0.976 . . . . 55.14 112.527 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.9 t -73.37 -18.56 61.15 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.602 0.361 . . . . 52.32 111.094 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -89.48 18.31 5.44 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.888 0.475 . . . . 74.1 111.044 172.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 53.3 ttp180 -105.48 92.02 4.02 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.972 -1.121 . . . . 63.23 107.972 167.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.5 m -98.96 157.62 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 116.006 -0.543 . . . . 75.23 110.451 -174.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.16 119.9 30.87 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 108.667 -0.864 . . . . 54.44 108.667 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -111.99 122.64 48.32 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.621 0.768 . . . . 74.04 110.474 -173.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -74.39 110.84 9.01 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.507 0.67 . . . . 74.51 109.676 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -79.89 112.19 16.94 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 114.301 -1.318 . . . . 73.41 109.254 -173.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -105.34 100.95 28.39 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 108.226 -1.027 . . . . 75.23 108.226 172.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HD2' ' HA2' ' A' ' 143' ' ' GLY . 35.2 Cg_endo -62.62 137.54 64.65 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 121.911 1.74 . . . . 64.21 109.735 175.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.7 103.19 0.66 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.4 -0.592 . . . . 33.14 109.4 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -55.64 -31.54 62.41 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 113.748 -1.569 . . . . 61.33 110.425 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.85 101.33 12.84 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 124.263 1.025 . . . . 73.43 109.423 165.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.12 122.03 7.32 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.524 2.149 . . . . 71.21 111.923 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.8 149.0 50.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.225 0.61 . . . . 61.53 110.263 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.41 115.58 20.82 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.041 0.936 . . . . 61.14 109.442 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 11.7 m -106.71 161.88 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.407 1.083 . . . . 75.22 109.792 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -98.52 113.72 25.85 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.262 1.025 . . . . 60.24 110.15 -177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 170' ' ' PRO . 1.9 mm? -104.03 133.61 48.69 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 106.597 -1.631 . . . . 65.34 106.597 168.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.51 162.0 28.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 117.8 0.273 . . . . 71.32 110.424 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.9 p -136.36 163.07 31.31 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.962 0.41 . . . . 73.22 109.999 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.0 p -103.43 -8.63 20.03 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.099 0.959 . . . . 72.25 110.295 173.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.408 ' HB2' ' HA ' ' A' ' 166' ' ' SER . 14.8 tpt180 -73.57 -33.7 64.78 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.942 0.897 . . . . 73.04 111.535 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.32 -120.37 1.06 Allowed Glycine 0 C--N 1.344 1.019 0 CA-C-O 118.484 -1.176 . . . . 64.53 111.137 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 43.9 Cg_exo -56.73 138.22 84.39 Favored 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 123.386 2.724 . . . . 64.34 112.164 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 17.2 Cg_exo -63.33 164.46 20.2 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.519 2.146 . . . . 71.55 113.178 -176.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.55 126.25 52.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.293 1.037 . . . . 74.01 111.044 -173.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 45.3 mt-10 -83.21 128.39 34.45 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.614 0.766 . . . . 61.55 109.963 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.481 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 53.5 m-85 -132.62 139.77 47.91 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 108.99 -0.745 . . . . 75.24 108.99 175.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.3 m -95.48 125.37 40.04 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.086 -0.709 . . . . 61.14 109.086 -175.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -73.75 115.69 13.47 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.365 -0.606 . . . . 73.13 109.365 -177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.561 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -98.57 -33.25 11.06 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.363 0.665 . . . . 64.34 110.636 -177.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.33 167.68 25.43 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.607 -0.724 . . . . 32.14 110.865 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.7 t -138.48 117.49 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.222 1.409 . . . . 62.51 107.947 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.635 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 1.9 mm? -93.55 131.94 38.33 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.24 0.616 . . . . 74.11 111.145 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.82 114.7 3.4 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 110.784 -0.926 . . . . 63.12 110.784 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.461 ' HE2' HD12 ' A' ' 95' ' ' LEU . 24.7 p90 -146.86 140.83 26.02 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.694 0.798 . . . . 73.44 109.855 -166.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 4.1 m-20 -81.36 146.98 30.05 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.81 0.444 . . . . 72.21 110.022 172.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.461 HD12 ' HE2' ' A' ' 93' ' ' PHE . 2.0 tt -158.37 127.34 5.58 Favored 'General case' 0 C--O 1.249 1.029 0 N-CA-C 107.085 -1.45 . . . . 70.41 107.085 -174.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.67 -91.94 1.09 Allowed Glycine 0 C--N 1.351 1.404 0 N-CA-C 109.762 -1.335 . . . . 41.41 109.762 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -133.51 -15.57 2.44 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.121 1.369 . . . . 74.11 110.477 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.9 m -117.96 147.56 43.04 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.979 0.419 . . . . 70.22 111.569 -165.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 20.6 p-80 -84.69 123.05 29.94 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 108.712 -0.847 . . . . 64.0 108.712 174.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -116.74 149.96 39.03 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.656 1.582 . . . . 71.34 109.001 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 m -129.2 126.74 39.85 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.94 -0.763 . . . . 71.42 108.94 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.8 tp -132.68 141.42 48.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.489 0.716 . . . . 71.33 109.37 -165.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.5 m -93.4 132.05 38.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.953 0.406 . . . . 71.1 111.007 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.526 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -106.02 116.94 32.8 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.259 1.024 . . . . 73.51 108.768 177.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.481 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 38.8 m-85 -93.84 171.54 8.8 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.399 0.619 . . . . 74.33 111.64 -175.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.561 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 48.2 ttt180 -116.35 119.1 34.61 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.811 1.244 . . . . 70.14 107.894 -172.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 54.6 t -109.9 124.03 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.776 0.83 . . . . 63.42 109.179 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.31 143.05 56.38 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.961 0.504 . . . . 74.45 110.013 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 83.7 -31.02 3.37 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-O 120.009 -0.328 . . . . 73.01 113.495 -174.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -106.12 121.9 45.09 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.887 0.875 . . . . 64.12 110.427 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.5 m -77.86 -11.28 59.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.702 0.801 . . . . 64.14 112.07 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.5 m -87.17 145.76 26.28 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.092 0.557 . . . . 41.03 110.043 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.451 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 53.1 mt -82.3 127.34 33.12 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.066 0.946 . . . . 63.41 108.545 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.89 113.02 24.53 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.817 -1.179 . . . . 63.14 107.817 -172.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 104' ' ' ALA . 21.6 t -110.04 98.2 33.51 Favored Pre-proline 0 N--CA 1.475 0.779 0 C-N-CA 123.493 0.717 . . . . 75.41 109.391 -177.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -84.59 123.67 2.96 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 123.373 2.716 . . . . 53.02 109.944 168.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 6.3 p90 -148.48 166.11 29.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.482 0.658 . . . . 74.43 110.416 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.5 p -128.19 163.12 25.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.559 -1.2 . . . . 71.53 107.851 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -160.02 -166.15 1.65 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.105 0.562 . . . . 62.02 109.873 -174.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -77.75 -27.31 50.36 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 111.94 0.348 . . . . 64.11 111.94 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.7 m -77.6 -35.07 53.25 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.406 0.682 . . . . 54.33 112.126 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.415 HG23 ' HE ' ' A' ' 132' ' ' ARG . 23.7 p -66.42 -36.3 82.47 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 120.975 0.417 . . . . 75.34 110.161 170.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.87 -28.77 69.77 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.086 -0.961 . . . . 75.2 111.155 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.47 -19.85 64.58 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.224 1.01 . . . . 65.03 111.435 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 89.86 -21.95 27.71 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 115.501 0.96 . . . . 75.21 115.501 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -76.01 -7.59 55.01 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.062 0.931 . . . . 75.0 112.983 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.8 p -129.31 164.96 22.41 Favored 'General case' 0 C--O 1.246 0.917 0 N-CA-C 107.68 -1.23 . . . . 35.01 107.68 160.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -58.3 112.56 1.6 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.368 0.877 . . . . 72.03 113.368 -164.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -57.8 -26.65 62.23 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.749 1.219 . . . . 63.04 111.798 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.549 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 59.6 m80 -69.34 -13.17 62.23 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.108 0.963 . . . . 75.15 111.564 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.79 162.82 11.32 Favored Glycine 0 C--N 1.339 0.714 0 N-CA-C 110.744 -0.942 . . . . 53.34 110.744 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.415 ' HE ' HG23 ' A' ' 122' ' ' THR . 11.0 ptp180 -122.91 141.39 51.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.798 -1.556 . . . . 70.33 106.798 173.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.411 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 80.7 m-85 -96.75 167.99 10.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.332 0.587 . . . . 63.02 110.644 175.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.411 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 4.0 tt -150.9 130.57 13.11 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 106.384 -1.71 . . . . 75.22 106.384 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -100.67 124.6 46.51 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 108.583 -0.895 . . . . 75.02 108.583 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.2 t -113.67 123.22 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.125 -1.065 . . . . 72.24 108.125 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -89.84 119.22 69.42 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 107.918 -1.142 . . . . 73.12 107.918 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.27 -31.6 63.17 Favored 'Trans proline' 0 C--N 1.372 1.799 0 C-N-CA 122.415 2.077 . . . . 61.21 112.975 -177.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.4 -82.75 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.735 1.214 . . . . 73.12 113.207 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -150.82 25.48 1.04 Allowed Glycine 0 C--N 1.343 0.941 0 C-N-CA 123.58 0.609 . . . . 65.32 112.066 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.405 ' HB2' ' HG3' ' A' ' 5' ' ' PRO . . . -67.44 105.35 1.78 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.465 1.106 . . . . 74.3 112.138 -175.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -86.46 169.98 12.37 Favored 'General case' 0 C--O 1.249 1.07 0 CA-C-N 115.091 -0.959 . . . . 53.43 109.21 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 66' ' ' PRO . . . -56.2 103.09 0.22 Allowed Glycine 0 C--N 1.342 0.913 0 O-C-N 123.696 0.623 . . . . 65.42 113.555 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 105.01 10.14 32.91 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-O 119.284 -0.731 . . . . 63.25 114.145 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.18 177.27 9.13 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 117.743 0.771 . . . . 75.43 109.446 172.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -119.51 143.84 47.34 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.077 0.465 . . . . 74.1 110.505 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.15 144.06 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 107.782 -1.192 . . . . 61.3 107.782 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.88 110.81 14.42 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 110.12 -0.326 . . . . 74.14 110.12 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 16.1 mt -92.71 86.22 5.48 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 108.255 -1.017 . . . . 73.05 108.255 171.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -87.21 102.73 14.76 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 114.815 -1.084 . . . . 70.12 108.195 171.422 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -66.57 -16.65 64.32 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.315 -1.311 . . . . 45.33 110.434 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -75.63 -0.67 21.41 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.598 0.759 . . . . 73.4 112.209 173.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 153' ' ' LEU . 3.3 mm? -110.74 -0.38 17.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.879 0.872 . . . . 75.1 111.396 168.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.13 140.21 21.48 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 123.945 0.778 . . . . 72.25 112.593 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.411 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 68.9 t80 -97.07 160.91 14.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.623 1.169 . . . . 61.44 108.809 -172.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -129.84 153.5 80.91 Favored Pre-proline 0 N--CA 1.476 0.859 0 N-CA-C 108.975 -0.75 . . . . 73.25 108.975 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.92 120.67 7.55 Favored 'Trans proline' 0 C--N 1.371 1.756 0 C-N-CA 120.898 1.066 . . . . 45.55 110.206 171.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 26' ' ' LYS . 82.9 m-85 -86.41 -15.63 39.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.937 0.495 . . . . 74.22 110.71 175.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 165' ' ' PHE . 35.9 m -57.1 -33.02 66.89 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.433 1.093 . . . . 73.12 111.014 169.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.16 -15.64 63.83 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.248 1.019 . . . . 73.22 112.95 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . 0.423 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 29.5 m-85 -71.39 8.37 1.07 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 114.111 1.152 . . . . 60.15 114.111 -177.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 114.34 -10.6 22.1 Favored Glycine 0 N--CA 1.474 1.214 0 CA-C-N 118.763 0.711 . . . . 52.23 113.355 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -74.01 -155.8 4.08 Favored Glycine 0 C--N 1.353 1.476 0 CA-C-N 117.38 0.59 . . . . 41.23 112.711 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 49.9 m -76.75 100.74 5.55 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 107.106 -1.442 . . . . 62.44 107.106 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 159' ' ' CYS . 7.8 p90 -80.89 78.11 7.72 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 122.725 1.25 . . . . 72.01 111.131 -164.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 79' ' ' ARG . 22.2 p -98.01 94.24 6.75 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 113.553 -1.658 . . . . 61.45 109.322 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 130' ' ' HIS . 6.9 p -122.52 135.95 54.77 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.292 -1.003 . . . . 72.12 108.292 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -85.25 93.76 8.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.243 0.617 . . . . 75.21 109.77 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.36 111.83 5.36 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 124.478 1.111 . . . . 73.33 109.46 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.566 ' HB2' ' HB2' ' A' ' 174' ' ' ASN . 56.7 Cg_endo -83.42 152.02 13.59 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 122.429 2.086 . . . . 73.4 111.772 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.87 176.35 1.88 Allowed 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.907 2.405 . . . . 70.33 113.289 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -67.27 -15.96 64.0 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.323 0.649 . . . . 50.15 111.547 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.71 -23.68 66.15 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.987 0.915 . . . . 73.25 111.264 172.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.566 ' HB2' ' HB2' ' A' ' 170' ' ' PRO . 36.8 m-80 -112.82 36.17 3.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.918 0.887 . . . . 71.0 109.644 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -116.47 115.14 25.26 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.753 -0.832 . . . . 72.15 108.753 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.448 HG11 HD13 ' A' ' 95' ' ' LEU . 60.9 t -86.2 119.46 71.67 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 108.894 -0.78 . . . . 64.43 108.894 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.54 58.89 4.69 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 123.169 2.579 . . . . 64.03 112.205 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.33 152.18 31.79 Favored 'General case' 0 C--O 1.251 1.183 0 C-N-CA 124.529 1.131 . . . . 62.42 108.923 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -85.35 104.86 15.55 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.832 -0.622 . . . . 70.03 109.374 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 1.8 mp -91.45 89.59 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 104.385 -2.45 . . . . 73.3 104.385 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 2.4 m -119.35 73.19 0.93 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.316 1.055 . . . . 70.12 108.434 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.447 0 CA-C-N 113.589 -1.641 . . . . 72.12 108.589 -179.181 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.139 -0.319 . . . . 64.51 110.139 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.94 123.69 11.64 Favored 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.548 2.165 . . . . 71.51 110.885 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 36.3 mt -167.32 -58.63 0.01 OUTLIER Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 125.482 1.513 . . . . 73.0 108.409 -170.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 21.4 Cg_endo -88.49 28.58 0.48 Allowed 'Trans proline' 0 C--N 1.397 3.124 0 C-N-CA 122.381 2.054 . . . . 71.15 111.787 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.3 m -71.08 -20.89 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.885 0.874 . . . . 73.42 111.037 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -85.02 91.73 8.16 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 107.79 -1.189 . . . . 73.12 107.79 164.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 6.5 t0 -34.96 147.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.852 1.661 . . . . 45.14 114.875 177.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -54.12 138.38 38.11 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.746 0.819 . . . . 73.43 111.136 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -40.83 -42.19 1.75 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 126.239 1.816 . . . . 64.34 115.514 -163.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.35 -59.44 5.0 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.085 0.554 . . . . 73.42 110.462 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -72.16 -19.93 61.68 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.038 -0.983 . . . . 73.32 111.415 -178.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.484 ' O ' HG13 ' A' ' 19' ' ' ILE . 27.2 t90 -66.21 -55.03 18.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.604 1.162 . . . . 73.14 109.507 174.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' HA ' HD12 ' A' ' 19' ' ' ILE . 77.2 mtt-85 -61.93 -30.35 70.84 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.58 -0.736 . . . . 74.24 111.016 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.52 93.98 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 119.146 -0.454 . . . . 62.24 111.289 170.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 8.6 mmp_? -58.23 -49.57 76.62 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.963 0.505 . . . . 71.34 110.466 177.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 15' ' ' TRP . 19.9 mt -63.49 -58.63 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 115.461 -0.79 . . . . 73.42 110.504 -175.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.36 -39.45 75.99 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.095 0.872 . . . . 61.2 112.009 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -47.58 70.08 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.689 0.396 . . . . 71.32 111.694 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -67.32 -38.82 85.52 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 121.108 0.48 . . . . 75.33 110.421 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' NH1' ' HB2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -68.84 -34.24 75.15 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 114.798 -1.092 . . . . 70.24 109.628 178.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.63 -36.56 70.8 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.65 0.78 . . . . 75.11 111.309 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.19 -42.01 98.89 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.242 0.617 . . . . 52.21 109.851 173.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -29.57 65.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.462 -0.79 . . . . 72.43 111.687 174.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -62.23 -47.98 82.03 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.311 0.644 . . . . 75.02 109.818 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.06 -19.29 44.11 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.579 -0.737 . . . . 74.21 112.38 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.444 ' O ' ' HB3' ' A' ' 33' ' ' HIS . 42.2 t80 -56.52 -51.92 66.7 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 112.96 0.726 . . . . 74.42 112.96 -176.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.654 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -85.28 -18.82 32.76 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 111.633 0.234 . . . . 72.12 111.633 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.98 -54.88 6.2 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.273 0.629 . . . . 54.42 111.371 -176.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 t -120.85 -50.63 2.17 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.371 0.669 . . . . 64.21 112.004 -173.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 3.2 t-160 -44.85 115.34 0.86 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.192 0.997 . . . . 75.53 111.27 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.84 -17.82 57.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.683 1.193 . . . . 50.54 113.974 -167.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.414 ' H ' ' HD2' ' A' ' 33' ' ' HIS . 56.1 tp60 -69.22 -20.4 63.96 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.095 0.558 . . . . 61.14 112.012 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 t -143.0 106.05 5.26 Favored Pre-proline 0 C--N 1.345 0.41 0 N-CA-C 108.652 -0.87 . . . . 74.45 108.652 -169.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -91.22 123.28 0.8 Allowed 'Trans proline' 0 CA--C 1.552 1.402 0 C-N-CA 122.492 2.128 . . . . 62.13 111.867 168.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.654 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 18.3 tt -80.4 142.57 54.4 Favored Pre-proline 0 N--CA 1.477 0.887 0 N-CA-C 107.085 -1.45 . . . . 75.1 107.085 165.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -43.44 131.41 6.99 Favored 'Trans proline' 0 CA--C 1.559 1.766 0 C-N-CA 123.097 2.531 . . . . 72.02 113.687 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.42 -33.28 46.06 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 123.788 2.992 . . . . 62.0 112.851 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.61 92.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.804 0.842 . . . . 72.55 111.767 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.01 -38.27 32.43 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.166 0.586 . . . . 63.33 110.941 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HB2' HG23 ' A' ' 38' ' ' ILE . 44.0 ttp85 -63.66 -29.78 70.97 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.78 0.675 . . . . 60.03 111.386 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.64 -44.27 96.7 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 116.112 -0.494 . . . . 71.11 112.357 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.43 17.39 16.21 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.762 0.825 . . . . 74.12 111.888 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -76.83 122.55 24.96 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.144 0.578 . . . . 72.14 110.423 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -136.61 -17.42 1.49 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.347 0.659 . . . . 75.32 111.084 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.03 122.44 0.61 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 111.787 -0.525 . . . . 75.31 111.787 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.522 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 65.4 mt -64.49 147.38 52.88 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.501 0.721 . . . . 62.22 111.622 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -81.9 134.47 35.4 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.286 -0.87 . . . . 72.04 110.626 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -160.64 147.39 15.44 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.73 -1.123 . . . . 64.21 108.727 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -73.38 161.72 30.14 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.537 -0.542 . . . . 75.51 109.537 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.06 145.9 44.09 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.37 -0.377 . . . . 71.1 110.683 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -65.3 115.86 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.438 0.695 . . . . 75.3 110.15 -171.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -105.36 131.21 53.08 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.431 0.692 . . . . 62.41 109.938 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.59 -21.85 47.98 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.785 0.834 . . . . 64.51 111.98 -175.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.6 m -79.45 -19.42 49.89 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 122.138 -0.351 . . . . 62.31 110.469 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -86.46 11.77 11.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.318 0.647 . . . . 75.24 112.391 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.515 ' HB3' ' ND2' ' A' ' 152' ' ' ASN . 36.9 ptt180 -109.68 108.2 18.5 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 108.327 -0.99 . . . . 72.14 108.327 164.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.6 m -103.01 170.57 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 120.969 0.414 . . . . 74.34 110.57 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.43 108.38 18.88 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.677 -1.231 . . . . 53.54 107.677 175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.36 134.29 47.0 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.993 0.917 . . . . 72.2 109.937 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -74.68 117.45 16.53 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.486 0.714 . . . . 72.53 109.799 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -83.05 124.22 30.23 Favored 'General case' 0 C--O 1.251 1.156 0 C-N-CA 124.994 1.317 . . . . 74.22 110.128 -174.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -125.8 112.28 24.85 Favored Pre-proline 0 C--O 1.214 -0.783 0 N-CA-C 108.482 -0.933 . . . . 72.45 108.482 167.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.94 163.69 36.31 Favored 'Trans proline' 0 C--N 1.369 1.641 0 C-N-CA 122.455 2.103 . . . . 64.34 111.741 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.82 97.69 3.34 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.488 -0.931 . . . . 63.23 108.488 172.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -58.3 -27.17 63.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.225 1.01 . . . . 71.44 110.963 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -128.17 93.44 38.91 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 107.57 -1.27 . . . . 53.14 107.57 167.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.7 128.5 12.61 Favored 'Trans proline' 0 C--N 1.367 1.542 0 C-N-CA 121.997 1.798 . . . . 70.34 111.389 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -131.0 152.2 50.57 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.77 0.828 . . . . 74.23 110.853 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.15 113.15 23.49 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.587 0.755 . . . . 75.42 109.352 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 33.8 m -105.68 156.65 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 123.775 0.83 . . . . 72.41 109.958 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.508 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 44.8 mt-10 -102.04 116.36 32.52 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.37 0.668 . . . . 54.55 109.611 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.431 HD23 ' HD2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -114.41 124.37 51.77 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.143 -1.428 . . . . 74.13 107.143 174.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -60.36 152.7 24.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.367 0.667 . . . . 70.35 109.873 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.2 p -117.66 163.62 16.2 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.483 0.583 . . . . 74.01 110.721 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.9 p -74.72 -27.88 60.56 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.212 -0.904 . . . . 70.01 109.946 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -72.97 -32.46 65.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.263 -0.881 . . . . 70.12 111.442 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.23 -120.39 1.13 Allowed Glycine 0 C--N 1.346 1.13 0 CA-C-O 118.844 -0.976 . . . . 63.33 112.465 -171.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -50.83 143.76 28.96 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.269 3.313 . . . . 72.14 114.128 -172.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -61.87 139.03 77.63 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 122.874 2.383 . . . . 64.54 112.691 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.35 128.63 44.34 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.069 1.347 . . . . 75.01 109.093 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.51 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 40.0 mt-10 -94.06 127.84 40.1 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.075 0.55 . . . . 73.21 110.084 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.46 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 59.1 m-85 -131.02 139.03 49.9 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.998 0.519 . . . . 54.21 110.98 -177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -80.98 130.94 35.26 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.436 -0.802 . . . . 60.23 109.284 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -70.85 116.08 10.73 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.658 0.383 . . . . 72.25 110.032 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.66 -51.1 8.05 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.433 0.693 . . . . 44.12 111.457 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.9 175.23 12.75 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.369 -0.832 . . . . 64.23 110.93 -171.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.86 125.05 34.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 C-N-CA 125.474 1.51 . . . . 70.41 107.145 171.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -104.01 135.25 45.87 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.485 1.114 . . . . 41.34 110.431 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -116.16 122.63 5.6 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 111.14 -0.784 . . . . 53.44 111.14 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.69 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 39.8 p90 -143.92 -175.89 4.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.278 0.631 . . . . 75.1 110.775 -171.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -121.56 142.49 50.04 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.997 0.919 . . . . 64.54 109.741 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.5 mt -149.05 129.28 13.69 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.529 1.132 . . . . 75.42 108.609 175.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.12 -104.02 1.03 Allowed Glycine 0 C--N 1.35 1.331 0 O-C-N 123.538 0.524 . . . . 44.4 113.047 173.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -108.52 -18.26 13.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.43 1.092 . . . . 75.44 110.52 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 m -133.55 154.78 50.59 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 122.156 0.979 . . . . 70.32 113.398 -163.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -85.61 124.9 32.68 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.16 -1.382 . . . . 74.51 108.125 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -125.58 147.65 49.21 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.793 0.837 . . . . 75.12 109.24 -171.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.32 162.06 16.51 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.909 -0.775 . . . . 71.33 108.909 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.69 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 4.5 tp -147.35 128.65 14.81 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 109.244 -0.65 . . . . 75.4 109.244 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.0 m -87.15 123.04 31.77 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.108 0.48 . . . . 61.03 110.458 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -101.55 124.07 46.61 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.442 1.097 . . . . 54.13 109.701 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.46 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 25.6 m-85 -96.69 175.93 6.19 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.658 0.783 . . . . 55.32 110.084 175.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.598 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 72.4 ttt180 -128.97 129.88 45.99 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.707 -0.849 . . . . 64.41 108.707 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.698 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 15.3 t -82.16 152.93 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 108.836 -0.801 . . . . 62.54 108.836 175.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.26 114.48 6.77 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 122.888 0.475 . . . . 45.24 110.462 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.96 28.01 47.61 Favored Glycine 0 N--CA 1.475 1.245 0 CA-C-N 116.337 -0.392 . . . . 64.51 112.427 171.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.698 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -80.71 175.98 10.2 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.039 1.336 . . . . 74.54 112.474 -171.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 79.3 p -113.81 -34.43 5.47 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.626 -0.879 . . . . 75.14 108.626 161.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.6 m -121.67 153.45 38.15 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.427 -1.261 . . . . 74.14 110.984 -173.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 19.6 mt -83.3 140.52 32.42 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.712 1.205 . . . . 65.21 110.528 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -92.32 98.1 11.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.779 1.232 . . . . 60.44 108.856 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.4 t -107.77 107.18 60.01 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 122.454 0.302 . . . . 64.14 110.217 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -81.14 153.72 18.96 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.966 2.444 . . . . 71.02 110.822 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -168.64 159.46 10.02 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 121.638 0.732 . . . . 73.43 112.212 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 170' ' ' PRO . 4.3 p -134.31 151.8 51.45 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.784 -1.553 . . . . 75.34 108.928 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.483 ' CG ' HH22 ' A' ' 132' ' ' ARG . 2.9 m-20 -117.04 -161.86 0.83 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.505 1.122 . . . . 74.52 110.207 -168.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -79.05 -34.24 43.93 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.157 0.983 . . . . 73.12 108.943 155.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.2 m -59.2 -30.82 68.5 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.359 1.464 . . . . 55.43 111.611 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.677 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 14.2 p -70.92 -49.72 42.64 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.064 0.945 . . . . 73.54 111.075 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.57 -18.33 60.59 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 115.652 -0.704 . . . . 64.12 111.387 -177.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -84.5 -9.06 58.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.258 0.623 . . . . 61.01 110.614 172.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.64 6.72 86.97 Favored Glycine 0 C--N 1.352 1.434 0 N-CA-C 115.571 0.989 . . . . 64.01 115.571 169.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -77.57 -44.94 26.83 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 117.843 0.821 . . . . 73.45 109.981 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.665 ' HB ' ' HE ' ' A' ' 132' ' ' ARG . 75.3 p -111.58 155.05 23.93 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.116 0.966 . . . . 73.11 110.522 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.466 ' HB3' ' HD2' ' A' ' 132' ' ' ARG . 7.5 t80 -53.31 104.89 0.11 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.854 1.262 . . . . 70.04 112.469 -169.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.677 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 0.0 OUTLIER -63.32 -25.49 68.33 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.608 1.163 . . . . 73.22 112.369 -174.632 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -77.38 -6.47 53.45 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 115.623 -0.717 . . . . 70.04 111.745 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 128.72 161.74 10.75 Favored Glycine 0 C--N 1.347 1.143 0 CA-C-N 116.359 -0.382 . . . . 65.15 112.921 170.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.665 ' HE ' ' HB ' ' A' ' 127' ' ' THR . 0.0 OUTLIER -136.67 167.12 22.02 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.882 0.873 . . . . 72.32 108.893 169.144 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -118.49 164.57 15.08 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.705 0.764 . . . . 74.43 111.646 -175.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.507 ' HA ' ' HD1' ' A' ' 155' ' ' TYR . 1.6 tt -147.44 119.24 8.09 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 105.889 -1.893 . . . . 53.51 105.889 171.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.465 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 3.7 p30 -86.54 112.21 21.33 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.745 -1.206 . . . . 73.45 107.745 171.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 66.7 t -105.86 120.5 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.917 -0.771 . . . . 74.01 108.917 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -78.33 120.94 82.99 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 108.252 -1.018 . . . . 72.43 108.252 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.1 -31.3 95.25 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.855 2.37 . . . . 31.41 112.578 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 47.82 36.37 5.81 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.546 1.138 . . . . 71.4 112.678 -176.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 55.82 42.07 84.98 Favored Glycine 0 C--N 1.35 1.356 0 CA-C-N 115.777 -0.647 . . . . 44.14 114.543 -174.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -80.66 163.29 23.71 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.771 0.428 . . . . 71.55 111.038 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -146.92 175.58 10.55 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 108.96 -0.755 . . . . 73.23 108.96 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -58.16 112.07 3.62 Favored Glycine 0 C--N 1.348 1.22 0 N-CA-C 114.249 0.46 . . . . 43.55 114.249 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.37 -3.49 32.93 Favored Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.624 -0.542 . . . . 75.5 113.498 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -80.98 -179.88 7.54 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 117.429 0.615 . . . . 72.33 109.664 168.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -129.99 156.08 45.06 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.611 0.719 . . . . 63.21 109.264 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.65 158.69 41.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.582 -1.266 . . . . 55.05 107.582 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.87 115.78 24.51 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.814 -0.81 . . . . 71.3 108.814 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.2 mt -92.18 85.81 5.57 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 107.847 -1.168 . . . . 64.35 107.847 171.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.486 ' HB3' HD23 ' A' ' 153' ' ' LEU . 3.5 m-20 -74.81 93.71 2.66 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 113.73 -1.577 . . . . 71.3 108.053 173.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.651 ' HB3' HG21 ' A' ' 180' ' ' ILE . 22.1 m-85 -74.29 -19.93 60.31 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 116.096 -0.502 . . . . 72.32 109.848 173.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 59' ' ' ARG . 8.8 p30 -64.69 -24.12 67.47 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.223 0.609 . . . . 54.51 111.014 173.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 150' ' ' ASP . 2.3 mm? -77.98 -24.26 48.09 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.718 0.807 . . . . 72.1 111.738 172.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.96 125.76 3.01 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 125.34 1.456 . . . . 72.24 113.851 -165.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.507 ' HD1' ' HA ' ' A' ' 134' ' ' LEU . 8.4 m-85 -103.47 162.77 12.75 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 114.083 -1.417 . . . . 62.05 111.206 -164.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -100.01 152.14 37.72 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.169 -0.923 . . . . 55.2 110.71 -173.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -81.21 134.54 9.2 Favored 'Trans proline' 0 CA--C 1.552 1.388 0 C-N-CA 122.829 2.352 . . . . 73.04 109.375 156.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -75.79 -5.65 46.86 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.431 0.692 . . . . 65.15 112.024 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 29.4 m -54.52 -36.29 64.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.869 0.868 . . . . 73.15 110.019 165.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.02 -36.01 72.24 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 114.998 -1.001 . . . . 75.23 110.884 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . 0.4 ' HE2' HD13 ' A' ' 49' ' ' LEU . 2.8 m-30 -89.65 12.62 16.31 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.286 0.634 . . . . 74.14 111.135 -174.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.24 -33.57 6.22 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-N 116.093 -0.503 . . . . 51.14 113.366 168.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -57.44 124.16 35.06 Favored Glycine 0 C--N 1.348 1.237 0 N-CA-C 111.312 -0.715 . . . . 60.1 111.312 172.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 51.0 m -81.77 78.82 8.45 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.528 0.68 . . . . 71.55 110.84 -170.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -101.18 -175.46 2.87 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 114.898 -1.047 . . . . 73.23 110.43 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 26.9 p -103.94 122.69 45.73 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.83 0.852 . . . . 72.43 109.727 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 36.4 t -109.6 113.78 26.85 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.659 -1.237 . . . . 72.04 107.659 171.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -74.32 118.49 17.33 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.188 0.595 . . . . 63.02 109.529 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 170' ' ' PRO . 4.2 mm? -58.47 118.28 26.88 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 124.528 1.131 . . . . 70.05 110.064 179.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.409 ' HG2' HG23 ' A' ' 118' ' ' THR . 17.5 Cg_exo -67.46 133.47 30.22 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.986 2.457 . . . . 72.35 110.848 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.78 170.59 11.12 Favored 'Trans proline' 0 C--N 1.37 1.676 0 C-N-CA 122.636 2.224 . . . . 70.34 112.467 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -53.04 -28.87 26.55 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 114.101 1.149 . . . . 24.34 114.101 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.61 -21.97 61.04 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 120.831 0.348 . . . . 64.22 111.469 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 102' ' ' LEU . 16.0 m120 -96.67 -0.01 49.06 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.248 0.619 . . . . 74.22 111.855 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -92.91 110.06 21.51 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.3 -0.63 . . . . 52.02 109.3 172.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 30.1 m -95.46 132.09 28.33 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 123.861 0.864 . . . . 71.35 110.007 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -74.79 69.53 5.35 Favored 'Trans proline' 0 C--N 1.369 1.617 0 C-N-CA 122.775 2.317 . . . . 44.44 111.015 165.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -153.04 145.66 24.25 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.252 1.021 . . . . 73.3 108.979 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -95.0 104.71 16.59 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.191 0.597 . . . . 72.24 109.735 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . 0.651 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.9 mp -105.79 94.68 3.26 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 N-CA-C 108.301 -1.0 . . . . 71.33 108.301 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 26.9 p -86.33 135.02 33.68 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.17 -1.418 . . . . 71.31 107.17 165.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 152' ' ' ASN . . . . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 119.413 -0.327 . . . . 54.21 110.433 -161.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.552 1.02 0 N-CA-C 109.369 -0.604 . . . . 63.02 109.369 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.437 ' HB2' ' O ' ' A' ' 146' ' ' GLU . 16.5 Cg_exo -54.34 126.22 21.5 Favored 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 123.096 2.531 . . . . 64.22 112.189 -175.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 63.9 mt -167.74 -55.93 0.01 OUTLIER Pre-proline 0 CA--C 1.561 1.373 0 C-N-CA 126.189 1.796 . . . . 55.21 108.759 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 40.8 Cg_endo -85.29 30.12 0.52 Allowed 'Trans proline' 0 C--N 1.408 3.659 0 C-N-CA 122.504 2.136 . . . . 53.43 112.539 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.5 m -67.85 -26.24 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 115.625 -0.716 . . . . 53.45 109.548 170.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.5 t -95.23 31.61 1.9 Allowed 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.931 1.292 . . . . 75.31 110.67 169.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 40.16 -150.15 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.846 1.425 . . . . 74.54 114.846 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -111.21 152.38 27.16 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 106.737 -1.579 . . . . 53.14 106.737 165.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -36.26 -50.66 0.75 Allowed 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 115.803 1.779 . . . . 64.51 115.803 -163.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -74.85 -45.41 43.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.799 0.44 . . . . 42.44 110.753 -174.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.74 -33.01 74.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.102 0.561 . . . . 72.44 110.371 178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.527 ' O ' HG13 ' A' ' 19' ' ' ILE . 21.5 t90 -62.98 -58.33 7.71 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.232 1.413 . . . . 71.45 108.793 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -50.74 -46.08 59.06 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 124.711 1.257 . . . . 74.34 111.046 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.36 96.94 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.297 0.639 . . . . 60.13 111.891 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -65.33 -40.29 93.48 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.877 0.471 . . . . 54.14 110.806 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 15' ' ' TRP . 63.3 mt -61.29 -49.32 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 123.893 0.745 . . . . 43.41 109.896 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.99 -34.93 79.22 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 124.165 0.916 . . . . 72.51 111.445 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.07 -35.26 77.91 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.217 0.607 . . . . 30.21 110.514 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -70.98 -37.6 72.75 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.601 0.761 . . . . 73.31 110.285 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.541 ' HD2' ' HB2' ' A' ' 51' ' ' TYR . 18.4 mmt180 -63.58 -45.55 89.88 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 109.512 -0.551 . . . . 72.21 109.512 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.85 -38.8 92.19 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.845 -0.616 . . . . 63.22 110.893 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.56 -50.76 72.05 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 123.913 0.885 . . . . 62.15 112.004 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.1 -50.52 54.39 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.644 -0.502 . . . . 74.22 109.644 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -36.57 37.63 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.367 0.667 . . . . 52.13 112.522 178.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -84.5 -33.81 23.48 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 118.899 -0.572 . . . . 74.22 111.432 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -56.05 -62.07 1.96 Allowed 'General case' 0 N--CA 1.499 1.975 0 C-N-CA 123.782 0.833 . . . . 75.32 111.948 -173.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.454 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.53 -13.53 61.05 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.727 0.64 . . . . 71.3 112.727 -176.065 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.28 -39.05 13.75 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.785 0.434 . . . . 64.13 111.137 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.3 p -112.48 -58.51 2.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.785 0.434 . . . . 74.15 111.501 -171.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -63.88 133.65 53.7 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 121.394 0.616 . . . . 75.13 112.6 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.64 -24.86 67.72 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.485 1.514 . . . . 51.33 113.736 -164.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -70.03 -14.39 62.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.536 0.939 . . . . 74.15 113.536 -167.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.1 m -156.56 85.72 3.02 Favored Pre-proline 0 N--CA 1.479 0.997 0 N-CA-C 108.104 -1.073 . . . . 73.23 108.104 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -84.01 125.35 3.59 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 122.353 2.035 . . . . 72.2 112.563 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.454 HG13 ' HB2' ' A' ' 30' ' ' LEU . 52.8 mt -69.17 129.7 91.79 Favored Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 108.697 -0.853 . . . . 61.55 108.697 172.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -47.22 136.36 18.84 Favored 'Trans proline' 0 C--N 1.386 2.514 0 C-N-CA 123.673 2.915 . . . . 63.03 113.225 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -51.14 -32.84 41.5 Favored 'Trans proline' 0 C--N 1.386 2.521 0 C-N-CA 124.123 3.215 . . . . 73.34 114.696 -170.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.84 -51.19 65.8 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.961 0.504 . . . . 55.13 112.022 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -71.46 -36.39 71.2 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.323 0.649 . . . . 62.21 110.377 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.558 ' HA ' ' HB2' ' A' ' 46' ' ' PHE . 57.3 ttt-85 -71.99 -22.74 61.38 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.914 -1.039 . . . . 75.53 111.13 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.31 -44.94 72.5 Favored Glycine 0 C--N 1.347 1.183 0 N-CA-C 111.477 -0.649 . . . . 55.44 111.477 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.21 27.98 4.32 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.905 0.882 . . . . 74.52 111.274 174.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.558 ' HB2' ' HA ' ' A' ' 43' ' ' ARG . 86.9 t80 -64.96 104.32 0.85 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.082 0.553 . . . . 75.2 109.563 176.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -93.13 -17.48 23.72 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.015 -0.993 . . . . 71.22 108.761 168.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.55 -147.37 18.8 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 108.352 -1.899 . . . . 61.13 108.352 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -152.7 170.6 19.85 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.003 0.921 . . . . 63.21 108.693 176.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -73.65 113.04 10.33 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.438 -0.949 . . . . 71.04 108.438 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.541 ' HB2' ' HD2' ' A' ' 23' ' ' ARG . 19.7 p90 -119.86 149.88 41.37 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.563 -1.273 . . . . 75.05 107.563 173.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -84.98 147.67 26.59 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.758 0.423 . . . . 53.33 110.369 -171.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -97.0 159.37 14.95 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.143 0.577 . . . . 70.22 110.08 -172.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.9 mp -74.36 138.79 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 124.168 0.987 . . . . 72.44 109.903 -172.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -162.59 128.61 3.43 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.559 0.537 . . . . 74.54 110.186 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.64 -23.09 45.98 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.915 0.886 . . . . 71.12 112.791 -174.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -86.91 -25.64 24.31 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.624 0.37 . . . . 70.33 110.677 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -89.9 19.1 5.05 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.385 0.674 . . . . 70.33 111.375 174.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 38.0 ptt180 -113.5 110.95 21.11 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 107.559 -1.274 . . . . 62.35 107.559 159.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.0 m -103.13 158.6 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 N-CA-C 109.546 -0.539 . . . . 74.43 109.546 177.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.02 119.79 35.13 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 107.982 -1.118 . . . . 55.35 107.982 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -115.52 142.31 46.89 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.261 1.024 . . . . 55.34 110.158 -172.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -74.99 114.47 13.51 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.496 -0.557 . . . . 75.12 109.496 177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -78.56 119.15 21.43 Favored 'General case' 0 C--O 1.251 1.143 0 N-CA-C 108.56 -0.904 . . . . 71.54 108.56 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -116.48 106.58 48.37 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 106.969 -1.493 . . . . 64.41 106.969 168.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.35 148.68 92.64 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 121.862 1.708 . . . . 72.25 110.324 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.36 101.13 0.54 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.893 -0.78 . . . . 71.33 108.893 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -57.75 -31.15 66.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.914 1.286 . . . . 71.31 111.035 -177.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -139.29 95.71 9.14 Favored Pre-proline 0 CA--C 1.556 1.191 0 CA-C-N 115.121 -0.945 . . . . 73.43 108.487 167.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.18 128.92 17.27 Favored 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 122.974 2.449 . . . . 61.4 112.477 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -124.29 144.9 49.72 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.753 0.821 . . . . 73.41 110.123 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.91 114.09 21.43 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.04 -0.726 . . . . 73.05 109.04 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 20.4 m -105.19 157.66 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.052 0.941 . . . . 70.53 109.188 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 31.9 mt-10 -112.23 106.27 14.8 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.595 0.758 . . . . 63.21 109.274 -174.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.07 122.66 39.14 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.022 -1.473 . . . . 75.11 107.022 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -61.39 146.92 46.64 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.191 -0.67 . . . . 50.22 109.191 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 167' ' ' CYS . 63.8 p -114.35 158.61 21.25 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.266 0.484 . . . . 65.21 110.527 -174.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.0 p -73.64 -20.54 60.55 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 115.274 -0.876 . . . . 72.0 110.152 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 165' ' ' PHE . 75.8 ttt180 -76.84 -26.74 54.65 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.706 1.202 . . . . 70.33 111.423 175.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.01 -122.24 2.06 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 118.292 -1.282 . . . . 75.32 111.902 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -43.9 140.79 4.72 Favored 'Trans proline' 0 C--N 1.39 2.741 0 C-N-CA 124.536 3.49 . . . . 62.41 114.908 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.424 ' HB2' ' HB3' ' A' ' 74' ' ' GLU . 36.4 Cg_endo -61.52 146.82 96.66 Favored 'Trans proline' 0 C--N 1.381 2.267 0 C-N-CA 122.947 2.431 . . . . 73.23 114.114 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.78 132.36 47.57 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.763 1.225 . . . . 74.31 108.357 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 37.9 mt-10 -89.64 128.73 36.1 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.891 0.476 . . . . 74.03 110.564 -177.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.413 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 64.0 m-85 -131.42 136.18 47.79 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.463 -0.94 . . . . 72.21 108.463 176.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.9 m -82.53 142.08 32.11 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 108.881 -0.785 . . . . 64.22 108.881 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -78.99 113.5 17.16 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.567 -0.531 . . . . 71.14 109.567 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.76 -42.84 17.46 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.504 0.722 . . . . 73.25 110.701 176.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -163.6 176.03 10.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.439 -0.801 . . . . 74.23 111.898 -175.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.6 126.63 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 125.207 1.403 . . . . 73.13 107.608 167.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.46 118.4 33.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.814 0.846 . . . . 62.54 109.672 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.37 113.75 4.69 Favored Glycine 0 C--N 1.34 0.778 0 N-CA-C 110.286 -1.125 . . . . 71.04 110.286 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -135.26 -174.98 3.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.617 0.767 . . . . 73.25 109.384 -172.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -138.39 159.25 42.55 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.207 -1.035 . . . . 44.23 108.207 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.5 tp -171.48 135.16 0.9 Allowed 'General case' 0 C--O 1.247 0.93 0 N-CA-C 108.316 -0.994 . . . . 64.22 108.316 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.16 -103.28 0.83 Allowed Glycine 0 C--N 1.346 1.116 0 O-C-N 123.237 0.336 . . . . 74.34 112.689 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -121.86 3.7 10.0 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.382 1.073 . . . . 54.43 110.875 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.0 m -128.49 135.73 49.84 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.73 0.641 . . . . 61.53 112.73 -167.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -93.33 110.39 21.93 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 108.111 -1.07 . . . . 74.34 108.111 168.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -130.52 159.45 37.07 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.647 0.379 . . . . 70.11 110.38 -166.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 p -113.83 156.62 23.56 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.297 0.639 . . . . 71.21 111.067 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.4 tp -140.49 117.75 11.33 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.873 -1.158 . . . . 62.44 107.873 -175.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.8 m -87.12 125.94 34.46 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 118.326 0.512 . . . . 41.53 110.196 -173.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.437 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -99.23 127.3 45.2 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.52 1.128 . . . . 65.41 109.958 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.413 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 57.3 m-85 -107.58 145.23 33.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.565 0.746 . . . . 70.33 111.572 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.534 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 46.2 ttt85 -94.88 122.0 37.06 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.772 1.629 . . . . 74.31 108.719 175.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.612 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 48.5 t -107.74 139.94 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.869 1.268 . . . . 73.4 109.746 -176.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -55.47 102.94 0.08 Allowed 'General case' 0 CA--C 1.561 1.388 0 CA-C-O 121.791 0.805 . . . . 73.11 111.482 173.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.69 27.58 29.07 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.016 -0.993 . . . . 45.24 114.099 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.612 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.3 OUTLIER -80.08 166.81 21.14 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 109.606 -0.516 . . . . 72.32 109.606 176.072 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.2 t -95.52 -42.74 8.29 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 121.572 -0.705 . . . . 74.33 109.356 169.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.4 m -135.09 167.67 20.54 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.61 1.164 . . . . 64.32 109.519 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.0 mt -75.97 147.72 38.64 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.335 0.654 . . . . 73.12 110.425 -165.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.76 105.13 16.43 Favored 'General case' 0 C--O 1.233 0.203 0 O-C-N 124.887 1.367 . . . . 74.22 107.648 -176.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 104' ' ' ALA . 35.2 t -106.92 94.51 10.75 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 108.691 -0.855 . . . . 73.12 108.691 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.95 114.51 4.04 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 121.906 1.737 . . . . 71.52 108.488 169.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.47 ' HA ' HD22 ' A' ' 174' ' ' ASN . 10.1 p90 -133.75 172.35 12.89 Favored 'General case' 0 C--O 1.245 0.84 0 C-N-CA 123.583 0.753 . . . . 74.12 109.272 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.45 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.3 p -138.22 172.5 12.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.464 -1.244 . . . . 74.34 108.596 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 3.8 p30 -143.63 -163.72 1.72 Allowed 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 124.053 0.941 . . . . 62.33 108.883 177.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 179' ' ' ALA . 51.1 mt-10 -76.12 -32.97 59.43 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 122.161 -0.337 . . . . 63.53 111.507 175.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.536 HG23 ' HB1' ' A' ' 179' ' ' ALA . 0.2 OUTLIER -70.61 -25.48 63.06 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.264 0.626 . . . . 62.1 111.975 -175.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.9 p -68.1 -50.84 52.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.373 0.669 . . . . 72.22 109.882 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.78 -28.38 68.97 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.354 -0.839 . . . . 64.45 110.197 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 121' ' ' THR . 25.5 t70 -79.25 -9.27 59.53 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 125.092 1.357 . . . . 73.42 111.369 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 85.6 -7.6 75.88 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 115.039 0.776 . . . . 71.34 115.039 173.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -79.9 -15.34 57.52 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.983 0.513 . . . . 73.52 111.502 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.2 p -131.17 173.8 10.67 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.075 0.95 . . . . 72.11 108.49 164.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -68.84 108.58 3.51 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.257 0.623 . . . . 75.11 112.209 -169.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.7 -40.23 83.05 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.252 1.421 . . . . 64.2 113.553 -171.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -78.81 -1.86 36.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.166 0.586 . . . . 72.45 111.79 -176.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 138.87 157.65 7.42 Favored Glycine 0 C--N 1.349 1.281 0 N-CA-C 112.752 -0.139 . . . . 61.11 112.752 169.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.662 HH21 ' HB3' ' A' ' 154' ' ' ALA . 11.2 ptm180 -135.68 141.8 45.02 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.124 -1.065 . . . . 75.15 108.124 169.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -94.67 160.27 14.7 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.802 0.441 . . . . 74.31 110.389 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.434 HD22 HG22 ' A' ' 136' ' ' VAL . 1.0 OUTLIER -132.2 129.52 39.84 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.731 -1.211 . . . . 73.13 107.731 173.121 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.53 104.05 16.0 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 107.776 -1.194 . . . . 75.23 107.776 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.434 HG22 HD22 ' A' ' 134' ' ' LEU . 62.1 t -115.75 124.68 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 122.93 0.492 . . . . 64.01 110.89 -170.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.5 117.82 69.64 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 108.804 -0.813 . . . . 63.54 108.804 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.11 -30.47 16.17 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.49 2.127 . . . . 74.42 113.321 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 59.38 26.12 14.96 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.252 1.021 . . . . 54.3 112.303 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.73 40.58 49.01 Favored Glycine 0 C--N 1.35 1.312 0 CA-C-N 116.045 -0.525 . . . . 75.45 113.578 -168.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.03 148.42 51.03 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.06 0.544 . . . . 71.22 111.334 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.02 170.05 8.54 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 108.838 -0.801 . . . . 75.2 108.838 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -59.73 104.2 0.54 Allowed Glycine 0 C--N 1.348 1.207 0 O-C-N 123.405 0.441 . . . . 63.24 112.809 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.89 2.63 32.05 Favored Glycine 0 N--CA 1.467 0.737 0 CA-C-O 119.432 -0.649 . . . . 74.12 114.535 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.87 175.74 10.16 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 108.412 -0.958 . . . . 73.42 108.412 165.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 5' ' ' PRO . 12.7 pt-20 -128.45 145.63 51.04 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.168 0.509 . . . . 73.31 111.124 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.06 150.42 32.74 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 C-N-CA 124.934 1.294 . . . . 72.4 107.573 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.34 117.02 19.94 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.894 0.477 . . . . 63.13 110.755 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.0 mt -92.29 86.54 5.75 Favored 'General case' 0 C--O 1.248 1.024 0 N-CA-C 107.85 -1.167 . . . . 75.52 107.85 170.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 1.4 m-20 -81.22 95.76 7.04 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 113.94 -1.482 . . . . 74.45 110.166 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -66.76 -22.39 66.04 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.386 -0.598 . . . . 71.13 109.386 172.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -71.57 -25.42 62.19 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.416 -0.811 . . . . 74.13 110.838 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.494 ' HA ' HH22 ' A' ' 23' ' ' ARG . 1.6 mm? -81.26 -25.52 36.53 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.441 0.697 . . . . 62.34 112.14 176.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.662 ' HB3' HH21 ' A' ' 132' ' ' ARG . . . -47.7 150.46 1.03 Allowed 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.824 1.327 . . . . 62.31 113.624 -170.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -119.05 169.03 10.26 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.108 0.963 . . . . 73.32 110.91 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -102.46 151.03 38.14 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.076 0.951 . . . . 72.23 110.371 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -64.18 157.05 55.79 Favored 'Trans proline' 0 C--N 1.373 1.852 0 C-N-CA 122.838 2.359 . . . . 73.33 113.059 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -65.97 -28.67 69.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.806 0.842 . . . . 63.52 112.704 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 167' ' ' CYS . 11.9 m -62.33 -24.95 67.62 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.496 0.718 . . . . 75.53 112.47 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -74.58 -1.79 23.06 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.147 0.979 . . . . 73.31 112.938 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -91.24 0.35 57.54 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.737 0.815 . . . . 75.05 110.632 -175.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 93.01 32.64 7.78 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 116.218 -0.446 . . . . 44.24 112.599 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.16 166.93 25.61 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 112.422 -0.271 . . . . 43.13 112.422 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 67.2 m -91.92 70.59 5.55 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.968 0.907 . . . . 52.44 109.949 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 76.6 m-85 -95.65 179.29 5.18 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 114.969 -1.014 . . . . 73.52 108.667 173.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.408 ' OG ' ' HD3' ' A' ' 79' ' ' ARG . 11.1 m -102.38 114.8 29.29 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.269 0.628 . . . . 73.41 109.643 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 77' ' ' THR . 34.6 t -104.23 113.97 27.88 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.337 -0.986 . . . . 73.2 108.337 171.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -70.92 104.51 2.97 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.415 -0.957 . . . . 70.43 108.415 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.13 134.15 84.24 Favored Pre-proline 0 CA--C 1.548 0.904 0 O-C-N 124.352 1.033 . . . . 72.4 110.385 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.45 ' HG3' HG23 ' A' ' 118' ' ' THR . 93.0 Cg_endo -75.99 133.14 14.82 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.343 2.028 . . . . 64.5 111.715 -175.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.3 152.91 36.36 Favored 'Trans proline' 0 C--N 1.374 1.881 0 C-N-CA 122.391 2.06 . . . . 43.5 112.547 173.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -58.99 -26.76 64.78 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.799 0.84 . . . . 44.21 112.144 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.31 -25.06 66.87 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.484 1.114 . . . . 73.33 112.579 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.47 HD22 ' HA ' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -118.72 29.26 7.83 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.697 0.76 . . . . 73.15 110.83 -177.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -92.2 102.3 14.81 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 107.325 -1.361 . . . . 73.3 107.325 165.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.55 126.66 92.94 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.637 0.775 . . . . 53.44 109.367 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -81.48 43.61 1.56 Allowed 'Trans proline' 0 C--N 1.371 1.728 0 C-N-CA 122.756 2.304 . . . . 51.31 112.483 174.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -143.21 148.7 36.89 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.498 1.519 . . . . 62.14 107.053 176.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.536 ' HB1' HG23 ' A' ' 121' ' ' THR . . . -94.75 122.59 37.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.145 0.578 . . . . 64.04 109.985 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.73 104.76 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 108.182 -1.044 . . . . 75.21 108.182 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . 0.518 ' HB ' HG21 ' A' ' 121' ' ' THR . 10.1 t -117.67 113.03 21.3 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 108.835 -0.802 . . . . 75.42 108.835 171.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 105.84 -1.911 . . . . 71.11 105.84 166.211 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.9 tt . . . . . 0 CA--C 1.568 1.648 0 N-CA-C 109.29 -0.633 . . . . 74.23 109.29 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -66.56 127.16 16.7 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 121.868 1.712 . . . . 73.31 110.776 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mt 179.52 -47.43 0.0 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.814 1.246 . . . . 71.33 108.359 -166.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -79.79 27.1 0.55 Allowed 'Trans proline' 0 C--N 1.402 3.346 0 C-N-CA 122.215 1.943 . . . . 75.21 112.384 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -66.4 -17.15 22.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 C-N-CA 123.844 0.857 . . . . 72.15 110.346 171.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.45 ' HB ' ' HB3' ' A' ' 148' ' ' ALA . 12.4 t -85.6 30.26 0.65 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.723 1.209 . . . . 70.12 110.662 168.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 44.48 -150.34 0.05 Allowed 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 114.073 1.138 . . . . 71.13 114.073 -173.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -120.87 150.27 41.31 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 106.072 -1.825 . . . . 71.01 106.072 172.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -38.47 -44.71 0.96 Allowed 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 115.981 1.845 . . . . 63.44 115.981 -163.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -67.66 -53.29 29.01 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.492 0.317 . . . . 73.23 110.702 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -62.56 -33.98 76.03 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.863 0.865 . . . . 74.01 111.461 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.457 ' O ' HG13 ' A' ' 19' ' ' ILE . 31.5 t90 -69.0 -52.74 25.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.835 1.254 . . . . 75.31 109.816 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.6 ttp-105 -58.14 -37.09 73.97 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.208 0.942 . . . . 74.41 110.325 175.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.31 90.63 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.692 0.62 . . . . 51.24 112.281 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 18.4 mmt180 -63.55 -48.25 78.26 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 118.389 0.541 . . . . 74.02 110.252 176.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.604 HG21 HG13 ' A' ' 54' ' ' ILE . 33.2 mt -60.69 -48.14 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 123.597 0.56 . . . . 62.1 110.841 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.79 -43.95 73.32 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.652 1.22 . . . . 72.52 111.645 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.73 97.18 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.515 0.726 . . . . 75.12 111.667 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -76.78 -26.83 54.92 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.553 0.741 . . . . 74.45 110.992 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -71.57 -53.47 13.67 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.136 -1.061 . . . . 65.23 108.136 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.98 98.02 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 124.857 1.348 . . . . 72.24 111.032 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.47 -58.3 8.7 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 123.959 0.787 . . . . 74.15 110.655 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -30.25 70.56 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.598 0.562 . . . . 75.13 111.242 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.571 ' HA ' HD21 ' A' ' 49' ' ' LEU . 11.6 t70 -66.66 -55.61 14.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.149 0.579 . . . . 75.23 109.973 177.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HA ' ' HZ ' ' A' ' 46' ' ' PHE . 11.4 pt-20 -79.81 -13.94 59.05 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 118.96 -0.543 . . . . 75.12 111.693 -176.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 35.3 t80 -49.47 -55.43 13.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.847 1.259 . . . . 71.42 111.795 -170.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.768 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.96 -11.56 60.83 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 114.362 -1.29 . . . . 53.24 111.37 -172.13 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.57 -56.33 3.06 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.67 0.788 . . . . 43.34 110.934 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.5 p -105.31 9.16 33.97 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.323 1.049 . . . . 61.34 112.95 -166.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 10.0 m170 -126.64 119.41 26.97 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.16 -0.681 . . . . 70.0 109.16 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.26 -14.21 60.17 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.116 1.366 . . . . 54.23 112.81 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -61.07 -33.23 73.01 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.697 0.799 . . . . 71.15 112.408 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 69.4 m -159.26 92.62 1.85 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 107.904 -1.147 . . . . 74.53 107.904 -173.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.69 149.17 60.52 Favored 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 122.384 2.056 . . . . 75.21 112.369 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.768 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 16.0 tt -87.91 139.82 31.02 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 107.985 -1.117 . . . . 61.4 107.985 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.64 141.72 91.16 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.107 1.871 . . . . 62.15 111.672 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -59.48 -27.42 84.93 Favored 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 123.421 2.747 . . . . 54.32 114.524 -166.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.36 83.0 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.267 0.227 . . . . 72.22 110.452 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.506 ' HB2' HG12 ' A' ' 38' ' ' ILE . 31.6 m-20 -73.46 -37.6 65.74 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 122.863 0.465 . . . . 74.04 110.05 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -57.51 -32.43 67.03 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.31 1.044 . . . . 74.1 111.664 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.67 -44.52 96.27 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 123.541 0.526 . . . . 74.45 112.086 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.58 15.88 15.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.478 0.711 . . . . 72.02 112.198 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.431 ' HZ ' ' HA ' ' A' ' 28' ' ' GLU . 82.9 t80 -74.14 103.23 4.51 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.138 0.494 . . . . 70.44 110.106 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -139.82 11.34 2.45 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.607 1.163 . . . . 75.23 109.083 173.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 130.65 145.92 5.8 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 110.586 -1.005 . . . . 61.5 110.586 -169.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -131.96 -169.21 2.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.749 0.819 . . . . 75.4 110.576 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -73.31 119.68 17.88 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.66 0.743 . . . . 55.3 112.9 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -147.95 142.98 27.0 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 106.912 -1.514 . . . . 71.33 106.912 161.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -97.28 172.01 8.06 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.725 0.41 . . . . 64.12 110.347 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.33 171.33 10.11 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.946 0.779 . . . . 74.41 111.692 -171.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.604 HG13 HG21 ' A' ' 19' ' ' ILE . 3.6 mp -81.61 131.78 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 114.852 -1.067 . . . . 72.43 109.378 175.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -124.01 110.47 14.82 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.821 -0.807 . . . . 72.42 108.821 171.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.15 -21.47 56.53 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.112 0.965 . . . . 24.21 112.342 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.5 t -80.85 -19.33 44.78 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.875 0.47 . . . . 52.44 111.012 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.576 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 22.8 m-85 -85.79 16.81 3.75 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.456 0.702 . . . . 75.24 111.405 170.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -85.89 97.79 10.42 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 107.765 -1.198 . . . . 60.31 107.765 167.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.422 HG11 HD13 ' A' ' 95' ' ' LEU . 29.2 m -101.26 142.97 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 109.06 -0.719 . . . . 72.04 109.06 174.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.75 124.82 29.95 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.41 -0.959 . . . . 72.04 108.41 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.66 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -110.81 118.86 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.511 -0.551 . . . . 74.24 109.511 -175.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -74.25 111.94 9.92 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.535 -0.913 . . . . 72.21 108.535 -172.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -78.18 117.39 19.42 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-N 114.875 -1.057 . . . . 75.32 110.029 -172.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -118.92 114.47 35.37 Favored Pre-proline 0 C--O 1.217 -0.627 0 N-CA-C 107.324 -1.361 . . . . 45.22 107.324 168.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.23 152.87 80.08 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 121.853 1.702 . . . . 41.54 110.985 175.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.52 117.22 7.69 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.051 -0.722 . . . . 53.24 109.051 174.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -54.49 -35.91 63.61 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.306 1.004 . . . . 73.12 110.926 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -135.88 101.71 10.46 Favored Pre-proline 0 C--O 1.245 0.832 0 CA-C-N 115.133 -0.939 . . . . 75.42 108.937 168.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.75 124.09 11.12 Favored 'Trans proline' 0 C--N 1.372 1.787 0 C-N-CA 122.384 2.056 . . . . 71.04 111.862 173.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -132.85 156.55 46.98 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.706 0.802 . . . . 71.02 109.897 -174.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.13 108.98 13.03 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 123.216 0.606 . . . . 75.03 109.573 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.3 m -105.89 151.88 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 108.102 -1.073 . . . . 34.3 108.102 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 119.98 41.11 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.922 -0.77 . . . . 73.23 108.922 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.429 HD23 ' HD1' ' A' ' 85' ' ' TYR . 1.9 mm? -103.08 128.29 50.02 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.034 -1.469 . . . . 74.15 107.034 174.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.73 150.28 48.76 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.187 -0.671 . . . . 74.23 109.187 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.1 p -117.11 172.53 7.22 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 121.086 0.469 . . . . 71.51 110.761 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.5 p -89.79 -31.56 17.34 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.959 -1.018 . . . . 70.45 110.267 176.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' ' 165' ' ' PHE . 37.5 ttt180 -73.77 -30.73 62.94 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.885 0.874 . . . . 74.51 112.499 -177.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.09 -122.74 1.09 Allowed Glycine 0 C--N 1.345 1.069 0 CA-C-O 118.701 -1.055 . . . . 71.12 113.04 -174.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -62.92 155.13 62.18 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 123.617 2.878 . . . . 74.51 113.204 -173.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.59 132.74 36.64 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.543 2.162 . . . . 73.0 112.472 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.49 117.23 27.29 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.174 -0.921 . . . . 51.42 108.879 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -89.9 130.23 36.15 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.571 0.348 . . . . 62.54 110.536 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.461 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 81.6 m-85 -131.53 153.37 49.9 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.093 0.957 . . . . 64.24 109.09 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.3 m -91.39 119.41 31.37 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 109.166 -0.679 . . . . 74.41 109.166 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -68.13 111.92 4.77 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.86 0.754 . . . . 74.11 109.3 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -94.71 -39.64 10.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.0 0.52 . . . . 74.2 111.634 -171.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . . . -151.47 170.02 20.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.487 0.66 . . . . 43.22 110.612 -172.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.27 115.09 13.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 C-N-CA 125.866 1.666 . . . . 65.24 106.817 172.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.66 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 2.6 mm? -90.16 128.65 36.4 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.427 0.691 . . . . 75.14 109.536 177.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.23 121.52 4.46 Favored Glycine 0 C--O 1.218 -0.848 0 N-CA-C 111.042 -0.823 . . . . 61.04 111.042 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.592 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 54.3 p90 -144.49 -173.74 4.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.24 0.616 . . . . 74.03 109.459 -172.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -133.15 146.73 51.84 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.076 0.465 . . . . 71.44 110.17 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.422 HD13 HG11 ' A' ' 60' ' ' VAL . 38.7 tp -142.83 135.22 27.54 Favored 'General case' 0 C--O 1.256 1.434 0 N-CA-C 107.066 -1.457 . . . . 74.32 107.066 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.48 -97.57 0.62 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 112.283 -0.327 . . . . 54.11 112.283 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -134.72 5.02 3.37 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.481 1.112 . . . . 52.34 110.303 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.8 m -128.7 149.98 50.45 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 112.146 0.425 . . . . 63.24 112.146 -168.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -87.97 124.53 33.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.517 -0.765 . . . . 74.22 109.443 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.461 ' CE1' ' HD2' ' A' ' 177' ' ' PRO . 96.3 m-70 -121.53 136.48 54.95 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.963 0.905 . . . . 70.33 109.017 -177.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 m -127.95 119.49 25.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.295 0.638 . . . . 74.44 109.33 -175.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -114.22 139.07 49.68 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.813 1.245 . . . . 64.52 108.595 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.3 m -90.74 130.48 36.72 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.386 -0.598 . . . . 62.53 109.386 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . . . -98.01 121.9 40.48 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.728 0.811 . . . . 62.35 108.92 175.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.461 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 65.6 m-85 -97.62 168.77 10.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.261 -0.644 . . . . 63.4 109.261 175.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.58 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 22.0 ttt180 -115.67 133.3 56.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.691 1.196 . . . . 75.4 108.066 -175.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.742 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 28.6 t -97.56 113.7 32.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 N-CA-C 107.054 -1.462 . . . . 64.41 107.054 166.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -55.58 125.98 23.39 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 122.932 0.493 . . . . 73.23 110.797 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 94.79 -34.01 5.02 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.627 -0.715 . . . . 55.13 112.327 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.742 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 11.1 tp10 -83.89 129.37 34.93 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.453 0.701 . . . . 65.31 110.055 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -75.56 -22.79 56.72 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.546 0.739 . . . . 74.45 111.831 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.2 m -85.91 140.72 30.12 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.848 0.459 . . . . 63.25 110.017 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.3 mt -82.14 141.51 33.02 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.282 0.633 . . . . 62.21 109.303 174.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -100.42 110.63 22.84 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.222 -1.029 . . . . 74.41 108.222 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.1 t -107.85 93.18 10.11 Favored Pre-proline 0 N--CA 1.47 0.536 0 N-CA-C 108.655 -0.868 . . . . 71.21 108.655 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.97 120.36 5.01 Favored 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.202 1.935 . . . . 52.32 109.749 171.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -138.0 171.89 13.75 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.966 0.906 . . . . 74.14 110.212 -176.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -138.61 169.01 18.55 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.67 1.188 . . . . 64.3 108.083 172.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.436 ' HA ' ' O ' ' A' ' 176' ' ' VAL . 3.8 p-10 -156.04 -163.29 1.45 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 123.693 0.62 . . . . 63.41 109.731 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -78.56 -35.15 46.41 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.727 0.694 . . . . 73.32 111.408 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.5 m -59.61 -38.41 81.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.641 0.777 . . . . 73.34 111.333 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.554 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 57.4 p -66.02 -42.17 90.02 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 116.026 -0.533 . . . . 74.53 111.168 174.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.54 -15.2 62.75 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.685 0.794 . . . . 73.02 112.852 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -72.38 -22.42 61.14 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.849 0.314 . . . . 74.32 111.849 172.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.08 9.12 87.38 Favored Glycine 0 C--N 1.348 1.209 0 N-CA-C 111.177 -0.769 . . . . 64.44 111.177 -163.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -78.84 -28.59 44.34 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.316 1.446 . . . . 75.13 109.581 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.2 p -137.11 -178.13 5.07 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.449 1.5 . . . . 74.33 107.59 164.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.478 ' HB2' ' HD2' ' A' ' 132' ' ' ARG . 15.1 m-85 -80.06 110.38 15.4 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 112.91 0.708 . . . . 75.43 112.91 -169.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.554 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 13.6 pt-20 -66.37 -17.95 65.07 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.374 1.07 . . . . 72.01 112.986 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.412 ' O ' HD13 ' A' ' 169' ' ' LEU . 72.3 m80 -73.38 -2.26 21.54 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.602 0.361 . . . . 75.1 111.866 177.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.471 ' O ' ' SG ' ' A' ' 167' ' ' CYS . . . 97.95 144.01 16.08 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 111.601 -0.6 . . . . 60.35 111.601 166.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.478 ' HD2' ' HB2' ' A' ' 128' ' ' TYR . 2.6 mmp_? -131.72 159.23 39.0 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.602 1.161 . . . . 74.44 108.572 -166.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.3 166.47 12.29 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.543 0.687 . . . . 74.45 110.796 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.4 tt -140.63 122.36 15.33 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 106.288 -1.745 . . . . 71.11 106.288 164.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -92.04 108.11 19.7 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.394 -0.965 . . . . 74.43 108.394 -176.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 51.9 t -113.17 127.16 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 115.675 -0.693 . . . . 74.52 109.831 -169.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.08 107.44 57.13 Favored Pre-proline 0 C--O 1.24 0.585 0 N-CA-C 107.947 -1.131 . . . . 73.33 107.947 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.49 ' HA ' HG11 ' A' ' 147' ' ' VAL . 88.6 Cg_endo -77.97 -8.25 16.59 Favored 'Trans proline' 0 C--N 1.364 1.374 0 C-N-CA 122.508 2.139 . . . . 64.21 113.636 -177.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.74 -90.76 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.172 1.389 . . . . 73.4 111.032 -174.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -141.74 53.32 0.64 Allowed Glycine 0 C--N 1.341 0.851 0 N-CA-C 111.856 -0.498 . . . . 74.1 111.856 173.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -80.14 139.01 37.0 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.275 0.63 . . . . 62.24 110.879 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -114.89 174.09 6.15 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 108.461 -0.94 . . . . 73.53 108.461 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.68 114.88 7.3 Favored Glycine 0 C--N 1.349 1.278 0 N-CA-C 111.905 -0.478 . . . . 40.21 111.905 176.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 112.66 -16.47 23.75 Favored Glycine 0 N--CA 1.468 0.789 0 O-C-N 123.729 0.311 . . . . 74.32 112.624 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -80.25 -170.5 2.55 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.817 -0.438 . . . . 54.23 109.817 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -147.39 160.99 41.92 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.432 0.634 . . . . 70.5 110.632 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.49 HG11 ' HA ' ' A' ' 138' ' ' PRO . 15.9 m -139.91 143.81 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.884 1.274 . . . . 72.24 108.109 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.45 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -77.8 115.98 17.97 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.905 0.383 . . . . 45.45 110.792 -173.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 14.8 mt -95.05 85.71 4.41 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 108.25 -1.019 . . . . 74.53 108.25 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.43 ' HB2' HD23 ' A' ' 153' ' ' LEU . 2.5 m-20 -75.31 102.82 5.21 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 107.6 -1.259 . . . . 65.21 107.6 167.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.576 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 26.6 m-85 -65.61 -16.37 63.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.28 0.632 . . . . 71.32 111.995 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -71.53 -17.85 62.3 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 122.14 0.176 . . . . 45.42 111.334 175.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.468 HD11 HG12 ' A' ' 19' ' ' ILE . 2.9 mm? -93.05 13.46 20.73 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.273 0.629 . . . . 64.1 111.683 172.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.83 120.46 6.86 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.826 -0.435 . . . . 30.32 109.826 172.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -97.54 135.82 38.83 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.807 0.843 . . . . 55.34 110.028 -171.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -117.08 127.53 26.64 Favored Pre-proline 0 C--O 1.24 0.587 0 CA-C-N 114.976 -1.011 . . . . 72.43 108.976 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -48.47 164.03 0.23 Allowed 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 123.284 2.656 . . . . 73.44 113.892 166.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -75.08 0.68 15.29 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.786 -1.097 . . . . 70.41 113.037 -171.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 29.8 p -65.06 -22.67 67.0 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.444 0.698 . . . . 74.43 111.172 172.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.456 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . . . -82.21 -17.06 47.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.036 0.535 . . . . 53.43 110.676 174.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . 0.451 ' CD2' HD11 ' A' ' 30' ' ' LEU . 8.0 m-85 -101.44 -13.35 17.99 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.557 1.143 . . . . 63.11 110.375 -173.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 125.11 -26.98 5.46 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 119.799 -0.445 . . . . 52.35 113.481 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -90.47 142.14 16.19 Favored Glycine 0 N--CA 1.479 1.548 0 CA-C-N 117.607 0.703 . . . . 75.25 112.928 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 23.8 p -91.49 86.22 5.98 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.02 0.91 . . . . 73.53 109.999 -176.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 79' ' ' ARG . 96.7 m-85 -113.64 160.43 18.59 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.57 0.748 . . . . 75.42 110.825 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 20.5 p -71.6 140.72 49.9 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.926 0.89 . . . . 53.42 112.37 -171.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 131' ' ' GLY . 47.3 t -133.59 129.06 36.45 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.973 -0.751 . . . . 61.03 108.973 173.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.81 113.4 10.91 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 124.27 0.981 . . . . 65.0 109.433 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 130' ' ' HIS . 4.2 mm? -58.87 120.71 48.75 Favored Pre-proline 0 CA--C 1.545 0.782 0 O-C-N 124.125 0.891 . . . . 74.14 109.018 171.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.74 153.13 73.69 Favored 'Trans proline' 0 C--N 1.365 1.445 0 C-N-CA 122.463 2.108 . . . . 75.1 112.504 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.61 149.63 90.47 Favored 'Trans proline' 0 C--N 1.372 1.768 0 C-N-CA 121.93 1.754 . . . . 72.3 110.433 164.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -53.73 -27.25 27.27 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.9 1.074 . . . . 64.1 113.9 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -79.26 -17.65 54.31 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 122.92 0.488 . . . . 74.12 111.159 -178.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.59 4.73 30.87 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.111 0.565 . . . . 52.42 110.899 173.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -88.81 116.55 27.17 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 108.156 -1.053 . . . . 55.35 108.156 171.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 119' ' ' ASP . 58.7 t -92.34 114.0 60.98 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.39 1.076 . . . . 63.13 109.05 177.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.461 ' HD2' ' CE1' ' A' ' 100' ' ' HIS . 35.6 Cg_exo -67.23 58.42 0.64 Allowed 'Trans proline' 0 CA--C 1.563 1.926 0 C-N-CA 122.826 2.35 . . . . 62.24 113.422 167.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -148.83 146.16 27.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.679 1.191 . . . . 64.41 107.881 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -90.58 108.28 19.7 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.04 0.536 . . . . 52.21 109.939 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.3 mp -96.8 97.05 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.16 -1.052 . . . . 73.14 108.16 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 18.4 p -95.38 65.6 2.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.149 0.976 . . . . 42.34 109.728 174.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-N 114.401 -1.272 . . . . 73.02 108.334 177.323 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.4 tt . . . . . 0 CA--C 1.564 1.489 0 N-CA-C 108.55 -0.907 . . . . 72.44 108.55 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -65.56 126.88 16.91 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 122.587 2.191 . . . . 73.05 110.872 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.5 mt -154.82 -56.17 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 125.223 1.409 . . . . 70.4 108.975 -173.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -89.45 37.38 0.38 Allowed 'Trans proline' 0 C--N 1.397 3.09 0 C-N-CA 122.12 1.88 . . . . 62.23 111.349 176.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -61.7 -17.9 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.287 1.035 . . . . 72.12 111.056 170.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.91 105.42 17.56 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 105.664 -1.976 . . . . 70.34 105.664 158.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.02 -75.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.383 0.673 . . . . 64.45 111.215 -165.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -139.78 161.27 37.96 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 125.118 1.367 . . . . 75.33 107.986 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -51.38 -34.77 35.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.095 0.958 . . . . 70.2 112.57 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.32 -59.56 5.09 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.514 0.726 . . . . 71.41 110.576 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.42 94.25 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.11 0.964 . . . . 64.41 110.811 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.485 ' O ' HG13 ' A' ' 19' ' ' ILE . 50.1 t90 -61.87 -63.71 1.17 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.604 1.561 . . . . 74.42 110.022 -177.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 ttm-85 -58.48 -41.0 84.29 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.326 1.05 . . . . 73.11 110.761 -177.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.55 97.24 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 123.898 0.749 . . . . 60.43 111.758 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -62.11 -46.73 87.76 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.705 0.802 . . . . 74.35 111.184 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.536 HD13 HD22 ' A' ' 152' ' ' ASN . 9.7 mt -72.67 -39.0 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 123.506 0.504 . . . . 74.31 111.045 -174.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.83 95.87 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.885 0.741 . . . . 70.03 109.842 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.45 73.23 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 124.117 0.886 . . . . 72.53 111.233 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -70.92 -50.17 37.76 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.238 1.015 . . . . 63.04 111.196 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -71.37 -34.5 70.5 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.055 -0.521 . . . . 72.55 110.436 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 -34.27 71.77 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 122.146 0.178 . . . . 60.51 110.757 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -57.25 -50.62 72.31 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.802 0.841 . . . . 62.42 110.894 172.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -64.93 -38.67 91.74 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-O 118.923 -0.56 . . . . 71.2 110.799 177.144 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.461 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -52.79 -52.14 57.91 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.187 0.595 . . . . 75.01 111.393 176.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -77.26 -27.45 53.21 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.466 0.479 . . . . 74.33 111.543 -177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -57.58 -64.88 0.75 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.221 0.608 . . . . 71.5 111.763 -175.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.531 HD23 HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -77.64 -8.09 57.38 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 112.382 0.512 . . . . 73.54 112.382 -176.484 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.71 -39.35 24.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.89 0.476 . . . . 53.13 110.653 173.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.1 p -107.64 -57.09 2.14 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.455 0.539 . . . . 61.43 112.455 -175.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -58.53 144.97 40.82 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.772 0.829 . . . . 64.21 113.074 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -78.6 -22.14 47.49 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 114.165 -1.38 . . . . 73.33 111.005 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -60.01 -30.35 69.09 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.65 1.18 . . . . 54.14 112.621 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -144.39 100.74 4.79 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 106.682 -1.599 . . . . 70.23 106.682 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' O ' ' HA3' ' A' ' 163' ' ' GLY . 74.0 Cg_endo -82.29 145.5 13.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 121.732 1.621 . . . . 75.21 112.297 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.531 HD11 HD23 ' A' ' 30' ' ' LEU . 32.8 mt -90.32 136.22 28.76 Favored Pre-proline 0 N--CA 1.48 1.029 0 N-CA-C 106.675 -1.602 . . . . 73.53 106.675 159.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.04 143.98 95.47 Favored 'Trans proline' 0 C--N 1.387 2.601 0 C-N-CA 122.733 2.289 . . . . 53.14 111.546 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -54.21 -36.37 85.72 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.175 2.583 . . . . 73.33 113.303 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.9 -50.14 63.38 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 123.764 0.665 . . . . 64.22 111.566 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.12 -23.79 62.16 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.51 0.724 . . . . 74.03 111.902 -177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -63.8 -26.77 68.78 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.271 0.628 . . . . 70.34 110.969 175.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.41 -37.81 95.26 Favored Glycine 0 C--N 1.354 1.535 0 N-CA-C 112.059 -0.416 . . . . 44.33 112.059 173.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.99 -10.85 59.66 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.366 0.876 . . . . 61.54 113.366 174.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -77.53 106.58 9.4 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 118.614 0.643 . . . . 74.12 110.062 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -109.97 -37.13 5.69 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 106.909 -1.515 . . . . 73.32 106.909 163.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.75 146.62 7.99 Favored Glycine 0 C--O 1.246 0.882 0 N-CA-C 108.795 -1.722 . . . . 71.53 108.795 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.22 118.39 5.43 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 123.041 0.536 . . . . 73.33 109.896 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -73.75 127.05 31.76 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.313 -0.995 . . . . 64.22 108.313 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.81 171.95 15.94 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 123.815 0.697 . . . . 71.52 112.6 -170.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -77.79 156.67 30.37 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 114.23 -1.35 . . . . 51.05 109.842 173.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -97.05 177.55 5.56 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.375 -0.829 . . . . 65.44 111.089 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.9 mm -85.33 112.86 22.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.432 -0.804 . . . . 71.35 110.476 -165.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -122.6 127.48 49.47 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.186 0.594 . . . . 64.33 111.237 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.55 -15.22 58.08 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.586 1.154 . . . . 75.21 113.742 -171.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -68.3 -20.49 64.76 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 118.231 0.469 . . . . 72.21 111.076 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -73.06 8.42 1.61 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.082 0.953 . . . . 73.52 113.453 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HD3' ' HB3' ' A' ' 150' ' ' ASP . 11.8 tpp180 -78.74 94.06 5.05 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.462 0.705 . . . . 72.34 109.95 -176.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 m -102.03 143.24 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 108.917 -0.771 . . . . 71.41 108.917 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.47 130.48 40.83 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.873 -0.788 . . . . 71.41 108.873 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.69 135.62 55.07 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.89 0.476 . . . . 72.54 110.654 -174.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -74.91 120.4 20.39 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.55 0.74 . . . . 72.12 109.59 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -88.2 125.02 34.41 Favored 'General case' 0 C--O 1.247 0.927 0 C-N-CA 124.021 0.928 . . . . 70.11 109.864 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -131.56 104.9 14.45 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.861 0.864 . . . . 74.14 109.45 172.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -69.53 148.93 67.69 Favored 'Trans proline' 0 C--N 1.371 1.716 0 C-N-CA 121.946 1.764 . . . . 72.12 110.042 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.73 102.38 8.06 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.884 -0.784 . . . . 43.11 108.884 -176.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -59.23 -24.89 63.55 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.898 0.879 . . . . 73.44 110.507 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -123.67 84.03 53.7 Favored Pre-proline 0 CA--C 1.558 1.257 0 C-N-CA 124.901 1.28 . . . . 74.14 108.44 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -81.88 132.32 7.44 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.173 1.915 . . . . 71.04 111.761 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 86' ' ' THR . 12.7 pt-20 -140.4 157.37 45.64 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.056 0.542 . . . . 71.52 110.589 -177.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.85 113.02 21.06 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 123.848 0.717 . . . . 61.22 109.283 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 17.1 m -105.91 156.26 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.377 1.071 . . . . 62.12 108.536 178.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.63 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 43.6 mt-10 -109.87 107.79 17.86 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 123.518 0.727 . . . . 53.13 109.462 -171.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 170' ' ' PRO . 1.2 mm? -101.76 134.44 44.92 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.47 -1.307 . . . . 74.51 107.47 177.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.25 149.55 49.35 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.013 -0.736 . . . . 74.53 109.013 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.3 p -119.15 168.41 10.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.797 0.439 . . . . 74.3 110.568 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.3 p -89.98 -23.94 21.38 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.057 -0.974 . . . . 51.53 109.87 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -32.92 72.29 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.022 0.929 . . . . 73.35 111.667 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.91 -123.86 1.28 Allowed Glycine 0 CA--C 1.523 0.569 0 CA-C-O 118.09 -1.395 . . . . 40.11 111.19 -174.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -64.6 147.84 90.24 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.95 2.434 . . . . 53.1 111.974 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -58.13 145.45 92.3 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 123.136 2.557 . . . . 53.41 113.217 -174.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.92 129.72 44.33 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 123.831 0.852 . . . . 62.25 109.658 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.63 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 45.9 mt-10 -93.03 121.22 34.14 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.024 0.53 . . . . 74.51 109.954 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.43 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 60.6 m-85 -123.69 141.79 51.69 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.249 -1.019 . . . . 74.14 108.249 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 71' ' ' GLU . 37.1 m -84.64 144.08 28.82 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.869 -0.419 . . . . 62.43 109.869 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.7 mtm105 -75.19 108.74 8.15 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.011 -0.737 . . . . 71.24 109.011 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -87.49 -48.06 8.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.185 0.594 . . . . 74.43 111.51 178.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -152.54 173.68 14.86 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.303 0.641 . . . . 74.12 110.385 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.1 t -136.05 125.07 38.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.067 0 C-N-CA 124.761 1.224 . . . . 72.22 107.742 173.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.15 123.6 48.27 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.814 0.846 . . . . 74.52 110.79 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.87 121.12 5.74 Favored Glycine 0 N--CA 1.476 1.358 0 CA-C-O 119.596 -0.558 . . . . 72.13 112.263 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -152.87 -174.31 4.88 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 117.761 0.781 . . . . 75.25 110.479 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.525 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 7.9 p-10 -138.38 157.68 45.75 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.754 0.822 . . . . 64.31 110.217 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.4 tp -160.27 140.31 11.42 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.443 1.097 . . . . 60.34 108.804 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.83 -107.23 1.92 Allowed Glycine 0 C--N 1.351 1.4 0 N-CA-C 112.293 -0.323 . . . . 75.01 112.293 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.76 6.82 9.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.31 1.044 . . . . 53.15 110.152 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.3 m -132.87 131.33 40.84 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.561 0.578 . . . . 75.3 112.561 -171.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 6.4 p80 -88.2 137.54 32.24 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.673 -0.862 . . . . 73.42 108.673 170.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -141.54 151.01 42.86 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.463 0.649 . . . . 65.44 110.271 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.1 m -125.63 119.23 27.49 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.23 -1.35 . . . . 64.23 107.602 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 84.3 mt -107.72 150.83 26.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.486 0.714 . . . . 64.14 110.096 -175.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.6 m -93.23 126.69 38.47 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.929 -0.767 . . . . 73.42 108.929 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -95.83 125.13 40.19 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.32 1.048 . . . . 61.5 108.519 174.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 29.3 m-85 -98.96 155.51 17.38 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.917 0.389 . . . . 64.11 110.782 -177.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.51 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 78.8 ttt180 -92.87 115.68 28.34 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.332 -0.988 . . . . 72.25 108.332 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.17 108.72 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.6 -1.259 . . . . 75.52 107.6 169.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.91 138.93 57.7 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.955 -1.02 . . . . 71.25 110.763 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 87.97 -25.41 8.81 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 116.33 -0.395 . . . . 43.21 112.847 -174.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -106.16 127.3 53.11 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.619 1.168 . . . . 75.3 109.853 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.3 t -73.76 -18.79 60.93 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.179 0.992 . . . . 50.23 111.901 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 48.7 m -84.03 140.04 32.12 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.016 0.526 . . . . 72.43 109.692 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.411 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 31.5 mt -82.06 145.63 30.09 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.356 1.063 . . . . 75.34 109.037 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.52 102.44 10.79 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.721 -0.844 . . . . 72.22 108.721 -171.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.7 t -105.14 104.18 45.79 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 123.575 0.75 . . . . 70.34 110.16 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -91.16 128.07 1.2 Allowed 'Trans proline' 0 C--N 1.368 1.596 0 C-N-CA 123.127 2.551 . . . . 75.32 112.272 174.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.647 ' HA ' ' HB2' ' A' ' 174' ' ' ASN . 21.4 p90 -146.7 172.71 13.2 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.655 0.782 . . . . 74.2 110.224 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 39.7 p -133.56 168.64 18.29 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 108.555 -0.906 . . . . 72.42 108.555 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -162.81 -165.06 1.07 Allowed 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.23 0.331 . . . . 74.2 111.777 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.25 -31.55 43.55 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.424 0.528 . . . . 65.03 112.424 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.3 m -70.72 -34.48 71.94 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.026 0.531 . . . . 74.03 110.627 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.712 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 20.9 p -68.58 -40.39 80.56 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 115.72 -0.673 . . . . 74.34 110.433 170.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.73 -32.3 70.42 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.971 0.908 . . . . 72.13 111.907 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -63.31 -21.35 66.2 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.8 0.84 . . . . 74.23 112.981 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 70.36 8.56 62.7 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 123.454 0.471 . . . . 74.52 113.921 -172.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.561 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 5.4 mmp_? -92.59 -4.86 52.73 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.989 0.515 . . . . 54.14 110.4 175.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 28.7 p -129.33 155.93 44.84 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 106.27 -1.752 . . . . 64.45 106.27 156.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -63.4 115.07 4.28 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.009 0.433 . . . . 74.31 110.941 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.712 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 1.7 pp20? -70.24 -12.75 61.81 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.276 1.03 . . . . 63.22 113.283 -174.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 25.0 m80 -66.65 -20.65 66.03 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 123.355 0.409 . . . . 72.43 111.068 -172.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 157' ' ' PRO . . . 163.56 146.07 4.59 Favored Glycine 0 C--N 1.338 0.685 0 CA-C-N 115.799 -0.637 . . . . 62.21 111.667 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.512 ' HD2' ' HB1' ' A' ' 154' ' ' ALA . 10.1 tpp180 -112.48 141.87 45.71 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.179 -1.415 . . . . 63.34 107.179 168.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -111.1 170.54 8.04 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.81 0.732 . . . . 73.52 110.516 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.2 tt -149.84 122.77 8.76 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 106.431 -1.692 . . . . 65.23 106.431 167.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -96.78 103.66 15.6 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 107.906 -1.146 . . . . 60.52 107.906 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.0 t -99.77 124.57 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 115.057 -0.974 . . . . 73.45 110.38 -171.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -86.0 118.84 71.19 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 108.109 -1.071 . . . . 62.31 108.109 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.1 -32.04 75.31 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.779 2.319 . . . . 73.22 112.974 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 47.25 43.4 14.78 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.426 1.09 . . . . 54.34 113.27 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 66.26 33.61 85.58 Favored Glycine 0 C--N 1.347 1.142 0 N-CA-C 114.78 0.672 . . . . 73.11 114.78 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -83.3 158.11 22.35 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.954 0.502 . . . . 71.23 110.686 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -143.63 -175.45 4.57 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 108.272 -1.01 . . . . 65.01 108.272 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -66.34 117.67 9.9 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 117.932 0.333 . . . . 53.42 112.44 -173.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.31 3.57 58.68 Favored Glycine 0 N--CA 1.467 0.732 0 O-C-N 123.742 0.319 . . . . 44.4 112.73 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -87.26 -178.37 6.19 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.966 -1.124 . . . . 74.2 107.966 164.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -137.14 163.5 30.69 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.796 0.331 . . . . 64.14 110.477 174.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 21.6 m -134.22 153.87 36.6 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 C-N-CA 124.171 0.988 . . . . 61.54 108.994 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -82.09 113.87 20.24 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 108.987 -0.746 . . . . 53.41 108.987 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.9 mt -112.99 86.4 2.37 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.365 -0.976 . . . . 75.52 108.365 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.434 ' HB3' ' HD3' ' A' ' 59' ' ' ARG . 8.3 p-10 -99.72 123.94 44.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.311 -0.996 . . . . 44.22 108.311 171.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.458 ' HB3' HG23 ' A' ' 180' ' ' ILE . 58.9 m-85 -69.6 -12.33 61.56 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 114.465 -1.243 . . . . 71.24 113.484 -168.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.536 HD22 HD13 ' A' ' 19' ' ' ILE . 3.2 p-10 -68.33 -8.42 39.77 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 111.858 0.318 . . . . 74.23 111.858 170.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.58 -0.41 57.32 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.611 0.764 . . . . 64.54 112.284 167.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 132' ' ' ARG . . . -52.28 127.68 22.85 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.535 0.522 . . . . 61.31 110.672 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -96.54 155.16 16.88 Favored 'General case' 0 C--O 1.255 1.343 0 CA-C-O 122.063 0.935 . . . . 74.22 109.698 -169.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.548 HD21 ' HB3' ' A' ' 160' ' ' ALA . 0.2 OUTLIER -96.85 121.95 58.04 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 113.356 -1.747 . . . . 73.12 108.887 -168.308 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . 0.449 ' HG3' ' O ' ' A' ' 131' ' ' GLY . 65.9 Cg_endo -68.24 144.99 64.67 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.652 2.235 . . . . 71.21 110.654 173.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.474 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 27.0 m-85 -73.77 -11.51 60.41 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.677 0.621 . . . . 63.31 112.677 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 165' ' ' PHE . 30.4 p -60.82 -28.46 68.81 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.303 0.641 . . . . 40.24 111.31 169.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.548 ' HB3' HD21 ' A' ' 156' ' ' ASN . . . -81.33 5.16 18.19 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.718 1.007 . . . . 73.3 113.718 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 52.6 m-85 -114.81 -8.49 12.59 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.081 0.552 . . . . 63.3 110.14 178.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 91.49 -51.88 3.04 Favored Glycine 0 C--N 1.352 1.438 0 CA-C-O 119.65 -0.528 . . . . 55.43 113.969 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 37' ' ' PRO . . . -64.53 -97.73 0.02 OUTLIER Glycine 0 C--N 1.36 1.87 0 CA-C-O 119.202 -0.777 . . . . 62.14 114.305 -170.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.6 t -64.32 85.99 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.269 1.034 . . . . 71.15 109.469 166.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 159' ' ' CYS . 26.8 p90 -84.12 76.53 10.07 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.749 0.785 . . . . 75.24 110.71 -171.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.8 p -119.27 117.24 28.06 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.283 0.633 . . . . 73.33 112.016 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 130' ' ' HIS . 28.1 p -147.4 147.24 30.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.198 0.999 . . . . 65.41 108.661 164.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -109.27 113.03 25.52 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.541 0.736 . . . . 54.15 109.83 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.2 mp -81.66 117.98 70.39 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 124.995 1.318 . . . . 72.12 109.861 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.1 Cg_endo -84.77 173.63 8.14 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 123.65 2.9 . . . . 63.45 112.316 176.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.15 156.7 28.46 Favored 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 122.465 2.11 . . . . 71.14 112.517 169.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -57.08 -12.98 2.44 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 115.743 1.757 . . . . 73.31 115.743 -168.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.71 -6.37 44.04 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 122.93 0.492 . . . . 71.34 111.434 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.647 ' HB2' ' HA ' ' A' ' 117' ' ' PHE . 23.8 p-10 -78.06 -10.14 59.47 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.517 0.727 . . . . 73.5 111.411 177.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -89.02 102.06 14.71 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 123.048 0.539 . . . . 73.14 109.962 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 53.7 t -79.95 118.55 73.0 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 107.804 -1.184 . . . . 63.34 107.804 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -75.88 62.11 6.48 Favored 'Trans proline' 0 C--N 1.371 1.712 0 C-N-CA 122.617 2.212 . . . . 63.34 112.02 175.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -151.42 155.99 39.74 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.723 1.209 . . . . 54.54 108.896 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -84.31 108.71 17.31 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.343 0.657 . . . . 72.32 110.016 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . 0.458 HG23 ' HB3' ' A' ' 151' ' ' PHE . 2.0 mp -97.25 89.31 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 104.859 -2.274 . . . . 44.45 104.859 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.52 65.85 7.84 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.237 -0.892 . . . . 71.45 110.019 -173.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.525 0 CA-C-N 114.271 -1.332 . . . . 73.3 107.45 175.351 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.1 tt . . . . . 0 CA--C 1.561 1.369 0 N-CA-C 107.204 -1.406 . . . . 62.42 107.204 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -61.11 124.77 15.5 Favored 'Trans proline' 0 C--N 1.378 2.097 0 CA-C-N 120.772 1.311 . . . . 72.33 112.003 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mt 172.78 -55.15 0.0 OUTLIER Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 125.607 1.563 . . . . 63.34 108.242 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -83.5 24.5 0.75 Allowed 'Trans proline' 0 C--N 1.406 3.568 0 C-N-CA 122.628 2.219 . . . . 71.54 112.238 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 m -63.89 -12.01 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.971 1.308 . . . . 74.15 112.181 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 t -88.17 33.66 0.74 Allowed 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 125.668 1.587 . . . . 73.13 110.479 170.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 26.4 -104.79 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 126.388 1.875 . . . . 75.22 114.066 -169.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -136.6 157.47 46.7 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 105.299 -2.111 . . . . 65.31 105.299 168.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 21.3 t70 -47.03 -42.15 17.81 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 113.135 0.791 . . . . 75.44 113.135 -173.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.79 -59.14 5.9 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.59 0.756 . . . . 74.13 111.588 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.31 97.33 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.028 -0.987 . . . . 41.03 111.512 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.487 ' O ' HG13 ' A' ' 19' ' ' ILE . 49.8 t90 -61.37 -44.49 97.07 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.946 1.298 . . . . 74.42 110.906 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 11.7 ttt85 -65.99 -44.32 85.19 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.516 1.126 . . . . 74.22 109.287 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.02 85.9 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 115.072 -0.967 . . . . 61.53 111.586 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -62.57 -47.66 82.87 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 123.005 0.522 . . . . 75.51 110.675 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.544 HG12 HD11 ' A' ' 153' ' ' LEU . 54.1 mt -60.95 -48.25 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.345 0.258 . . . . 54.13 110.407 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.47 -44.14 80.28 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 124.126 0.891 . . . . 73.42 110.888 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.9 -49.98 72.65 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.308 -0.86 . . . . 63.25 111.573 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -75.7 -30.34 59.28 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.831 0.852 . . . . 71.32 112.158 -175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -75.78 -42.79 49.2 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 108.627 -0.879 . . . . 62.22 108.627 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.01 -30.22 67.47 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.068 -0.969 . . . . 32.05 110.757 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.489 ' HA ' ' HG2' ' A' ' 28' ' ' GLU . 27.4 t70 -65.48 -41.32 93.43 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 123.381 0.426 . . . . 73.04 110.272 171.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -64.98 -37.64 88.33 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.717 0.407 . . . . 72.24 111.184 175.333 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.8 -42.23 86.3 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 122.831 0.452 . . . . 73.21 111.232 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HG2' ' HA ' ' A' ' 25' ' ' ASP . 10.0 pt-20 -80.73 -24.4 38.78 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 119.113 -0.47 . . . . 73.12 112.06 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.483 ' HB3' HD13 ' A' ' 30' ' ' LEU . 56.0 t80 -49.85 -61.97 1.83 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.724 1.21 . . . . 65.12 111.344 -172.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.751 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.57 -4.48 31.0 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-N 115.093 -0.958 . . . . 55.2 112.244 -173.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.9 -43.16 9.11 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.576 0.75 . . . . 74.24 110.416 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 28' ' ' GLU . 14.7 t -121.4 33.19 5.61 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.821 0.82 . . . . 74.15 111.466 -172.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -142.02 115.22 8.84 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.975 -1.011 . . . . 71.03 109.982 174.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.01 -33.68 72.33 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.144 1.377 . . . . 75.45 112.375 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -72.81 -8.46 55.6 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.326 0.65 . . . . 75.22 112.449 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -156.49 77.25 4.31 Favored Pre-proline 0 N--CA 1.477 0.913 0 N-CA-C 107.075 -1.454 . . . . 63.3 107.075 173.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -92.89 151.43 2.7 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 122.93 2.42 . . . . 60.51 112.977 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.751 HG13 ' HB2' ' A' ' 30' ' ' LEU . 15.7 mt -76.33 127.27 85.13 Favored Pre-proline 0 CA--C 1.554 1.117 0 N-CA-C 107.017 -1.475 . . . . 72.25 107.017 164.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -46.01 140.77 10.0 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 124.282 3.321 . . . . 74.02 113.341 -175.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -47.84 -39.26 31.5 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 124.094 3.196 . . . . 75.45 114.834 -165.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.27 -47.57 79.06 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 121.287 0.565 . . . . 65.11 111.093 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.4 -25.35 59.42 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.032 0.933 . . . . 70.44 111.168 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -62.76 -35.41 79.73 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.528 1.131 . . . . 54.41 110.532 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.98 -39.19 63.84 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.129 -0.788 . . . . 51.32 111.129 172.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.67 10.32 11.54 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 124.246 1.018 . . . . 63.23 113.129 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -69.63 102.15 1.8 Allowed 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.253 0.549 . . . . 70.34 109.788 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -91.96 -25.64 18.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.187 0.995 . . . . 73.44 109.571 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.78 158.12 9.63 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 114.996 -1.002 . . . . 73.34 110.604 -176.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.97 148.56 31.14 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.652 -0.499 . . . . 75.53 109.652 176.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.561 ' HD3' ' H ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -68.96 136.1 52.0 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.666 -0.697 . . . . 73.44 109.176 174.374 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -107.9 118.6 37.18 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.367 0.667 . . . . 60.35 110.134 -172.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -83.78 134.1 34.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 107.999 -1.112 . . . . 71.1 107.999 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -74.04 155.04 38.96 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.513 0.325 . . . . 74.24 110.204 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.506 HD12 HG21 ' A' ' 19' ' ' ILE . 23.6 mm -75.45 132.66 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.467 0.707 . . . . 74.51 110.993 -169.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -136.64 110.46 8.16 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 122.97 0.508 . . . . 74.4 111.562 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.75 -5.21 56.82 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.275 1.03 . . . . 64.41 111.996 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 m -75.97 -28.8 58.03 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.027 0.441 . . . . 71.22 110.287 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.53 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 18.0 m-85 -75.77 12.05 1.18 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.041 0.936 . . . . 71.21 113.041 173.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -85.76 98.62 10.83 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 108.724 -0.843 . . . . 73.42 108.724 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.5 m -100.55 137.19 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 107.83 -1.174 . . . . 71.21 107.83 169.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.82 113.58 20.55 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 107.209 -1.404 . . . . 54.34 107.209 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.41 136.08 42.88 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.384 -0.599 . . . . 71.21 109.384 -173.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -73.3 110.32 7.5 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 107.966 -1.124 . . . . 73.11 107.966 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -79.5 119.34 22.36 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 115.074 -0.966 . . . . 61.42 110.284 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -113.47 144.05 30.56 Favored Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 107.196 -1.409 . . . . 72.24 107.196 164.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -94.54 167.06 1.81 Allowed 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 122.752 2.301 . . . . 52.43 112.076 169.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.5 125.57 28.23 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 110.067 -0.346 . . . . 72.24 110.067 167.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -57.3 -38.16 73.57 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.73 0.812 . . . . 75.43 111.348 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -150.51 96.92 3.35 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 107.165 -1.42 . . . . 54.33 107.165 172.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -47.75 130.28 18.71 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 123.603 2.869 . . . . 73.5 113.451 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.65 157.1 45.02 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.645 0.778 . . . . 75.21 111.18 -174.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.71 126.46 32.91 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.13 0.972 . . . . 75.04 110.937 -175.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 21.3 m -113.16 155.21 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.961 0.905 . . . . 74.5 108.858 172.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -101.78 111.32 23.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.276 0.63 . . . . 72.01 109.872 -176.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.89 115.99 31.7 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 107.629 -1.249 . . . . 73.12 107.629 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.91 140.71 57.66 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.014 -0.735 . . . . 60.41 109.014 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.1 p -115.29 161.58 18.29 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.48 0.582 . . . . 71.42 110.978 -168.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.1 p -74.09 -25.15 59.65 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.209 -0.905 . . . . 74.11 110.0 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -71.54 -31.77 67.4 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.728 1.211 . . . . 72.32 111.994 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.64 -120.9 1.34 Allowed Glycine 0 C--N 1.347 1.149 0 CA-C-O 118.812 -0.993 . . . . 54.21 111.476 -174.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 34.3 Cg_endo -59.67 145.22 98.71 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 123.341 2.694 . . . . 64.02 112.252 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 51.2 Cg_exo -55.86 151.87 38.63 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 123.186 2.591 . . . . 74.13 114.815 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.74 127.09 48.67 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.821 -1.081 . . . . 75.01 108.725 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 8.6 pt-20 -73.85 125.83 29.04 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.598 0.561 . . . . 75.24 110.184 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -128.21 133.23 48.83 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 107.406 -1.331 . . . . 72.05 107.406 169.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.5 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 51.6 m -78.84 148.51 32.81 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 108.628 -0.878 . . . . 54.05 108.628 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -85.06 113.99 21.88 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.697 -0.853 . . . . 72.21 108.697 172.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -86.84 -47.35 9.12 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.543 0.687 . . . . 73.41 110.346 176.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . . . -151.82 168.86 23.75 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 114.776 -1.102 . . . . 71.31 110.217 -171.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.6 t -131.73 113.93 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 124.766 1.226 . . . . 70.52 107.914 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.38 122.76 38.43 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.168 0.587 . . . . 73.31 109.936 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.44 134.69 11.32 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 110.126 -1.189 . . . . 72.2 110.126 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -152.85 -175.72 5.44 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.116 0.958 . . . . 70.34 110.473 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.68 154.97 46.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.898 0.879 . . . . 74.13 109.531 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.73 125.85 3.77 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 106.118 -1.808 . . . . 63.21 106.118 -175.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.73 -125.21 27.91 Favored Glycine 0 C--N 1.353 1.484 0 N-CA-C 110.791 -0.924 . . . . 70.02 110.791 -169.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -109.24 21.12 17.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.3 0.64 . . . . 64.24 110.402 169.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.2 m -117.42 124.11 48.06 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.865 0.466 . . . . 64.53 111.111 -173.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -92.36 117.04 29.51 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.617 -1.253 . . . . 75.11 107.617 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -135.42 149.97 49.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.622 0.725 . . . . 72.53 110.922 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.5 m -129.61 125.14 35.44 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 114.159 -1.382 . . . . 71.23 110.064 -167.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.0 mt -108.72 138.12 45.56 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.538 -0.912 . . . . 63.22 108.538 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.0 m -88.6 130.21 35.32 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.897 -0.409 . . . . 71.43 109.897 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -96.41 119.41 34.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.604 0.762 . . . . 33.23 109.576 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -95.28 149.88 20.85 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.119 0.568 . . . . 70.15 111.244 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 60.2 ttt180 -92.18 111.83 23.54 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 107.78 -1.193 . . . . 74.25 107.78 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.61 145.01 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.579 0.752 . . . . 63.14 111.068 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -81.94 136.34 35.31 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.513 -1.221 . . . . 74.2 109.417 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.12 -39.85 2.64 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 123.031 0.348 . . . . 51.11 113.194 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -91.6 121.71 33.51 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.006 0.922 . . . . 52.12 110.578 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.1 t -77.44 -11.84 59.89 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.924 1.289 . . . . 62.44 113.021 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.2 m -91.11 150.57 21.34 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.279 0.632 . . . . 73.13 109.888 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.436 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 66.3 mt -80.99 136.51 36.02 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.023 0.929 . . . . 74.25 109.29 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -96.11 98.22 10.17 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 107.853 -1.166 . . . . 73.33 107.853 -176.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.2 t -106.86 96.22 14.18 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 123.564 0.745 . . . . 63.31 108.995 -175.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.599 ' HB2' ' HB3' ' A' ' 170' ' ' PRO . 85.5 Cg_endo -82.27 146.75 14.17 Favored 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 122.225 1.95 . . . . 74.54 111.139 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.625 ' HA ' HD22 ' A' ' 174' ' ' ASN . 11.6 p90 -161.46 162.28 30.43 Favored 'General case' 0 C--O 1.252 1.188 0 CA-C-O 121.521 0.677 . . . . 72.05 111.107 -178.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 p -133.46 154.8 50.5 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.771 -1.559 . . . . 71.34 108.213 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.489 ' HB3' ' O ' ' A' ' 178' ' ' ALA . 1.8 m-20 -129.97 -169.98 2.23 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.867 0.867 . . . . 41.44 109.438 -174.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.04 -22.11 58.62 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 122.253 0.221 . . . . 72.44 111.502 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -36.95 76.38 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.418 0.687 . . . . 73.43 110.035 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -34.27 72.36 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.101 1.36 . . . . 65.52 112.894 -173.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.17 -34.32 56.39 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.648 1.179 . . . . 64.44 113.127 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.12 -18.37 65.25 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.438 0.695 . . . . 71.11 111.944 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 87.15 -26.3 7.02 Favored Glycine 0 C--N 1.353 1.497 0 N-CA-C 115.523 0.969 . . . . 73.23 115.523 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -65.45 -36.25 83.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.344 0.658 . . . . 64.44 112.492 -170.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.413 ' HB ' ' HD1' ' A' ' 128' ' ' TYR . 40.2 p -120.44 143.71 48.35 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.374 0.67 . . . . 52.23 111.031 -172.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.44 ' OH ' ' HB2' ' A' ' 119' ' ' ASP 0.266 10.3 p90 34.93 55.84 0.74 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 127.483 2.313 . . . . 72.5 113.991 174.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -43.41 -47.26 6.91 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.51 -2.132 . . . . 71.41 112.159 173.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -103.45 13.83 32.7 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.741 0.816 . . . . 74.21 111.727 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.15 171.1 26.1 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 111.257 -0.737 . . . . 64.5 111.257 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -135.61 146.12 47.58 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.75 -0.833 . . . . 73.21 108.75 175.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -92.8 172.34 8.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.112 0.565 . . . . 72.55 110.169 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.422 HD22 HG22 ' A' ' 136' ' ' VAL . 1.5 tt -144.19 121.2 11.39 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 105.554 -2.017 . . . . 74.52 105.554 168.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -90.13 98.24 11.65 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 107.551 -1.277 . . . . 75.43 107.551 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.422 HG22 HD22 ' A' ' 134' ' ' LEU . 60.9 t -99.5 128.86 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 115.345 -0.843 . . . . 74.31 109.768 -171.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -87.45 116.13 65.11 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 107.212 -1.403 . . . . 64.4 107.212 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.68 -21.81 58.35 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.383 2.055 . . . . 62.23 112.702 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.42 29.35 16.82 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.313 1.045 . . . . 65.22 113.122 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 53.32 47.32 62.28 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-N 116.112 -0.495 . . . . 60.43 114.066 -168.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -81.87 162.1 22.91 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.844 0.458 . . . . 72.22 110.229 173.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -126.41 173.76 9.12 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.888 0.875 . . . . 62.4 108.647 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.86 118.65 13.76 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-O 119.935 -0.37 . . . . 51.05 112.379 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 107.7 -14.28 38.43 Favored Glycine 0 C--N 1.336 0.55 0 CA-C-O 119.573 -0.57 . . . . 61.31 112.696 -177.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.88 -174.67 3.17 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 117.03 0.415 . . . . 72.01 110.114 175.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -140.49 157.72 45.07 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.926 0.49 . . . . 72.33 110.727 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 25.4 m -130.72 152.03 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.555 1.142 . . . . 55.31 109.013 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.03 106.03 11.75 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 109.648 -0.501 . . . . 73.4 109.648 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.73 86.51 4.41 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.305 -0.628 . . . . 72.41 109.305 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.85 106.41 7.41 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 107.533 -1.284 . . . . 72.25 107.533 164.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 30.1 m-85 -65.16 -18.89 65.68 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.488 0.315 . . . . 75.42 111.456 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -57.52 -33.96 68.61 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.886 0.874 . . . . 73.43 110.668 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.544 HD11 HG12 ' A' ' 19' ' ' ILE . 4.2 mm? -85.82 18.34 2.98 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.298 1.039 . . . . 74.23 111.986 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.5 130.05 44.59 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 120.833 0.349 . . . . 72.44 110.391 167.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -97.96 146.34 25.58 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.373 1.069 . . . . 73.12 108.603 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -102.64 136.18 19.37 Favored Pre-proline 0 N--CA 1.471 0.596 0 CA-C-O 119.036 -0.507 . . . . 65.55 110.016 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.2 141.87 96.9 Favored 'Trans proline' 0 C--N 1.379 2.167 0 C-N-CA 122.267 1.978 . . . . 74.52 109.745 172.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -63.37 -11.07 19.76 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 113.35 0.87 . . . . 64.52 113.35 -169.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 163' ' ' GLY . 11.4 p -66.89 -12.35 59.02 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.536 0.734 . . . . 71.22 112.685 174.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -86.38 -0.54 56.17 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.903 0.881 . . . . 73.21 112.09 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -110.33 -11.36 14.54 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.705 0.802 . . . . 73.41 110.891 -171.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 124.89 -22.7 6.36 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-N 116.246 -0.434 . . . . 65.5 112.027 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -80.18 151.76 33.63 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 123.625 0.25 . . . . 62.13 112.553 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 28.8 m -115.02 96.01 5.49 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.877 -0.786 . . . . 74.13 108.877 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.59 -173.67 2.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.16 0.584 . . . . 73.53 110.046 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 40.4 t -73.54 107.24 5.7 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.824 0.85 . . . . 51.33 110.465 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 33.5 m -100.71 114.45 28.21 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.122 -1.066 . . . . 71.33 108.122 177.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.37 102.11 5.01 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.45 0.7 . . . . 54.3 109.698 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 70.8 mt -65.05 116.69 32.25 Favored Pre-proline 0 CA--C 1.545 0.757 0 O-C-N 124.132 0.895 . . . . 74.24 110.024 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.627 ' HB2' HD21 ' A' ' 174' ' ' ASN . 62.3 Cg_endo -70.85 148.14 57.35 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.337 2.025 . . . . 74.31 112.069 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -64.92 163.22 29.09 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 122.255 1.97 . . . . 74.54 111.916 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -65.83 -16.32 63.71 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.055 0.542 . . . . 70.3 111.799 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.3 -19.42 64.58 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.977 1.311 . . . . 74.25 112.99 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.627 HD21 ' HB2' ' A' ' 170' ' ' PRO . 1.2 p-10 -108.7 37.16 2.6 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.469 0.652 . . . . 64.42 111.822 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -102.51 114.41 28.59 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.401 -0.592 . . . . 70.2 109.401 173.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 33.1 m -91.94 138.58 24.68 Favored Pre-proline 0 CA--C 1.557 1.241 0 N-CA-C 109.999 -0.371 . . . . 74.33 109.999 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -86.55 50.39 2.32 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 123.883 3.055 . . . . 74.11 112.348 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 119' ' ' ASP . . . -145.55 146.76 31.54 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.272 -1.01 . . . . 75.3 108.272 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.42 122.87 34.4 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.128 -0.693 . . . . 43.11 109.128 173.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.04 108.22 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.018 -1.104 . . . . 71.24 108.018 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 43.4 p -85.01 81.28 8.96 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.715 0.769 . . . . 61.45 110.774 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.959 0 C-N-CA 124.665 1.186 . . . . 64.04 109.801 -177.057 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.5 tt . . . . . 0 CA--C 1.563 1.479 0 N-CA-C 107.31 -1.367 . . . . 75.32 107.31 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.71 127.44 15.45 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 121.55 1.5 . . . . 65.45 111.095 -166.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mt -171.66 -54.51 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.059 0.944 . . . . 74.3 110.053 -169.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -78.87 18.57 0.99 Allowed 'Trans proline' 0 C--N 1.397 3.118 0 C-N-CA 122.173 1.915 . . . . 71.12 112.662 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m -68.12 -26.08 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.663 1.185 . . . . 64.42 110.044 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.411 ' OG1' ' HD2' ' A' ' 59' ' ' ARG . 9.1 t -85.14 86.64 7.36 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 107.428 -1.323 . . . . 64.15 107.428 162.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.5 t0 -28.59 148.97 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 126.914 2.085 . . . . 72.13 115.485 -178.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -47.67 137.05 9.73 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.106 0.962 . . . . 53.03 110.478 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -39.54 -49.32 2.13 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 115.438 1.644 . . . . 73.53 115.438 -162.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.25 -43.55 90.99 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 121.281 0.562 . . . . 75.21 110.602 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.58 -27.95 62.5 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.366 -0.834 . . . . 72.51 111.437 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.562 ' O ' HG13 ' A' ' 19' ' ' ILE . 37.9 t90 -70.76 -37.09 73.37 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.326 -0.62 . . . . 64.24 109.326 173.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -71.34 -27.15 63.17 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.017 0.527 . . . . 75.01 110.35 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.38 84.64 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.91 0.484 . . . . 74.33 111.248 165.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -66.85 -28.4 68.32 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.148 0.579 . . . . 74.12 111.082 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 153' ' ' LEU . 49.3 mt -72.4 -47.69 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.587 0.755 . . . . 71.13 109.906 176.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.41 76.19 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 124.558 1.162 . . . . 74.31 110.085 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.41 80.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.425 0.69 . . . . 61.53 111.221 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -53.27 53.33 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.822 0.849 . . . . 63.2 110.813 179.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -67.55 -38.62 84.42 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.593 0.357 . . . . 73.21 111.157 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.85 89.81 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.664 0.603 . . . . 63.13 110.887 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.7 -56.34 23.08 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.157 0.91 . . . . 54.41 110.63 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -57.21 -40.58 77.76 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.898 0.749 . . . . 75.22 111.374 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.71 -55.14 25.58 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.98 0.912 . . . . 63.4 111.381 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.21 -24.35 61.38 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.972 -0.558 . . . . 75.21 110.963 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.655 ' HE1' ' HB2' ' A' ' 36' ' ' SER . 35.7 t80 -52.83 -65.09 0.62 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.353 1.061 . . . . 73.51 111.87 -173.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.688 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.07 -18.3 65.25 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 111.746 0.276 . . . . 42.35 111.746 -175.337 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.1 -36.57 18.04 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.256 0.622 . . . . 64.51 111.581 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 p -117.54 -59.38 1.94 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.983 0.513 . . . . 73.21 111.529 -173.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -61.29 106.55 0.64 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.839 0.856 . . . . 70.34 109.913 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.32 -11.6 60.31 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.458 1.103 . . . . 63.41 113.133 -164.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -62.08 -13.73 29.38 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 113.958 1.095 . . . . 54.25 113.958 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.655 ' HB2' ' HE1' ' A' ' 29' ' ' PHE . 66.1 m -159.74 81.41 2.45 Favored Pre-proline 0 N--CA 1.475 0.821 0 N-CA-C 107.085 -1.45 . . . . 74.45 107.085 172.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -77.2 148.16 26.91 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.503 2.136 . . . . 74.33 111.954 -176.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.7 tt -73.71 133.99 79.16 Favored Pre-proline 0 CA--C 1.553 1.082 0 N-CA-C 108.205 -1.035 . . . . 52.14 108.205 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -48.42 139.31 22.83 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 123.472 2.782 . . . . 71.43 112.327 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -51.4 -32.61 43.1 Favored 'Trans proline' 0 C--N 1.382 2.305 0 C-N-CA 124.05 3.167 . . . . 65.05 114.332 -170.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.57 -44.42 78.25 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.287 0.565 . . . . 62.22 111.034 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -81.95 -18.73 42.51 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.454 0.702 . . . . 72.13 110.539 -175.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -57.9 -46.9 84.22 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.683 0.793 . . . . 64.55 110.676 170.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.93 -41.97 70.54 Favored Glycine 0 C--N 1.344 1.019 0 N-CA-C 111.461 -0.656 . . . . 72.4 111.461 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.76 2.43 14.39 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.656 0.782 . . . . 61.31 112.817 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.8 99.65 0.49 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 121.36 0.6 . . . . 72.24 110.102 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -92.26 -29.19 16.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.49 1.116 . . . . 74.32 109.3 172.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.46 63.48 0.38 Allowed Glycine 0 C--N 1.343 0.948 0 N-CA-C 110.059 -1.217 . . . . 53.03 110.059 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 81.88 0.18 Allowed 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 122.408 1.099 . . . . 73.14 111.02 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -175.24 152.56 1.43 Allowed 'General case' 0 C--O 1.245 0.843 0 CA-C-N 113.761 -1.563 . . . . 75.44 109.453 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.1 t80 168.2 112.14 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.739 1.616 . . . . 70.45 108.41 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -126.3 129.57 49.13 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.917 -0.772 . . . . 73.51 108.917 160.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -71.31 169.7 14.67 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.384 -0.599 . . . . 75.14 109.384 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' A' ' 19' ' ' ILE . 10.6 mm -84.11 123.4 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-O 119.23 -0.414 . . . . 70.23 109.928 -174.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -134.63 118.85 17.64 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 109.552 -0.536 . . . . 71.35 109.552 173.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 59' ' ' ARG . . . -80.16 -15.92 56.0 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.938 0.895 . . . . 43.23 113.256 -176.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.0 t -81.98 -19.39 40.65 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 122.335 -0.228 . . . . 75.32 111.246 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -85.26 7.83 20.72 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.945 0.721 . . . . 72.24 112.945 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.498 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 37.2 ptt180 -104.09 99.59 9.33 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.68 -0.859 . . . . 74.53 108.68 169.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.4 m -100.31 155.09 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 122.048 -0.407 . . . . 55.01 110.12 -175.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.76 118.56 31.58 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.145 -1.058 . . . . 70.33 108.145 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.571 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . . . -105.69 135.1 47.72 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.09 0.556 . . . . 52.45 110.268 -175.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 145' ' ' ASP . 50.7 ttp180 -73.33 120.03 18.39 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.828 -0.805 . . . . 73.44 108.828 -176.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -88.46 121.73 31.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.974 0.909 . . . . 72.44 109.924 -172.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -118.58 105.89 45.24 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.789 0.835 . . . . 63.5 108.984 172.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -64.59 148.4 90.43 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 122.144 1.896 . . . . 72.43 110.871 176.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.23 110.12 2.1 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.036 -0.727 . . . . 74.44 109.036 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -52.6 -32.03 39.38 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.533 1.133 . . . . 64.24 112.012 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -149.48 97.32 3.54 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 106.979 -1.489 . . . . 63.42 106.979 166.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.74 128.49 24.63 Favored 'Trans proline' 0 C--N 1.373 1.817 0 C-N-CA 122.669 2.246 . . . . 70.32 111.934 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -130.26 156.94 43.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.369 1.068 . . . . 63.13 109.356 -177.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.46 141.36 28.6 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.12 0.568 . . . . 72.31 110.772 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 33.4 m -136.15 158.97 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.747 1.219 . . . . 63.34 109.327 -174.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -106.15 112.47 25.52 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.077 -0.712 . . . . 73.34 109.077 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -95.48 123.77 39.18 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 107.355 -1.35 . . . . 54.05 107.355 172.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.27 151.71 39.8 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.518 -0.549 . . . . 75.35 109.518 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.4 p -123.5 168.2 12.9 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 118.583 0.629 . . . . 74.11 110.971 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.3 p -86.94 -33.56 19.63 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.887 -1.051 . . . . 73.34 110.524 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -75.69 -31.79 59.85 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.654 0.782 . . . . 71.43 111.805 -173.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.44 -122.83 1.09 Allowed Glycine 0 CA--C 1.532 1.148 0 CA-C-O 118.659 -1.078 . . . . 70.42 112.683 -174.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -62.74 152.6 77.45 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 123.533 2.822 . . . . 71.32 112.795 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -67.14 145.7 73.91 Favored 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 122.712 2.275 . . . . 74.1 113.071 -176.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.25 117.31 29.53 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.25 1.02 . . . . 51.41 109.633 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 44.6 mt-10 -81.02 120.16 24.43 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.173 0.589 . . . . 73.41 110.858 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.545 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 41.1 m-85 -122.5 146.68 47.17 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.076 0.95 . . . . 75.2 108.869 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.1 m -89.19 137.53 32.23 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 108.903 -0.777 . . . . 61.04 108.903 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -73.01 112.03 8.66 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.856 -0.794 . . . . 75.44 108.856 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.58 -52.82 6.8 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.409 0.684 . . . . 75.45 110.639 177.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.48 177.12 11.72 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.33 -0.85 . . . . 73.12 110.743 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.3 t -135.43 118.8 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 N-CA-C 107.536 -1.283 . . . . 74.43 107.536 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.43 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.0 mm? -95.7 119.92 35.06 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.25 0.62 . . . . 52.3 111.158 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.14 125.86 7.06 Favored Glycine 0 C--N 1.342 0.915 0 N-CA-C 110.632 -0.987 . . . . 72.15 110.632 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.571 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 37.1 p90 -161.23 154.78 21.79 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 117.706 0.753 . . . . 52.33 110.847 -171.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -81.16 152.84 27.55 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.939 -0.393 . . . . 75.11 109.939 173.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.519 HD23 HG11 ' A' ' 176' ' ' VAL . 28.6 tp -169.68 134.39 1.38 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 108.48 -0.933 . . . . 75.14 108.48 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.63 -101.49 1.79 Allowed Glycine 0 C--N 1.35 1.338 0 N-CA-C 110.285 -1.126 . . . . 74.14 110.285 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -129.15 -2.85 5.07 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.357 0.663 . . . . 74.35 110.187 169.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.2 m -129.35 167.59 17.53 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.433 0.635 . . . . 63.15 112.676 -166.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -86.35 139.66 30.77 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.164 -1.05 . . . . 73.41 108.164 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -141.06 140.71 34.28 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.128 0.971 . . . . 73.15 109.375 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 31.6 m -135.62 119.28 17.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.448 0.299 . . . . 74.31 110.708 -175.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -103.89 142.85 33.69 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.524 1.13 . . . . 75.11 109.381 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.9 m -88.14 123.31 32.67 Favored 'General case' 0 C--O 1.243 0.717 0 N-CA-C 109.043 -0.725 . . . . 61.25 109.043 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.663 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -97.3 122.86 40.81 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.303 0.641 . . . . 74.22 109.45 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.545 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 51.0 m-85 -101.59 170.54 8.12 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.696 0.622 . . . . 52.44 110.338 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.664 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 36.7 ttt180 -126.03 131.16 52.24 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.576 -0.898 . . . . 62.43 108.576 -173.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 110' ' ' GLU . 1.8 m -111.8 115.25 49.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 107.748 -1.204 . . . . 64.31 107.748 173.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.24 136.54 56.74 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.033 -0.985 . . . . 74.45 111.213 -170.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 100.36 -34.38 5.59 Favored Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.221 -0.9 . . . . 70.44 111.726 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.446 ' HB2' HG23 ' A' ' 107' ' ' VAL . 10.3 mm-40 -87.79 136.49 32.93 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 123.348 0.659 . . . . 73.32 110.011 176.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.4 m -79.62 -18.1 52.31 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.819 -0.628 . . . . 71.21 110.678 170.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 m -90.57 135.13 33.9 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 123.339 0.655 . . . . 62.3 110.216 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.4 mt -81.68 149.63 28.42 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.808 0.843 . . . . 65.43 110.039 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.3 111.21 22.1 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.592 -0.892 . . . . 55.54 108.592 -177.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 104' ' ' ALA . 20.0 m -107.68 116.56 57.33 Favored Pre-proline 0 N--CA 1.48 1.059 0 N-CA-C 108.877 -0.786 . . . . 64.51 108.877 175.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -84.22 148.33 11.7 Favored 'Trans proline' 0 C--N 1.368 1.585 0 C-N-CA 122.306 2.004 . . . . 72.31 109.66 163.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -164.7 163.44 21.54 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.142 0.496 . . . . 74.43 110.676 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.4 p -130.57 154.19 48.1 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.966 -1.015 . . . . 73.45 108.877 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -114.0 -172.25 2.05 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 108.08 -1.082 . . . . 65.24 108.08 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -73.33 -28.36 62.03 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.856 -0.794 . . . . 72.43 108.856 160.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.454 HG22 ' HB3' ' A' ' 126' ' ' ARG . 2.2 m -65.9 -38.32 88.4 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.441 1.496 . . . . 72.21 111.332 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 46.9 p -69.51 -45.32 69.16 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.202 0.601 . . . . 54.41 110.972 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.99 -19.42 62.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.7 0.8 . . . . 70.35 111.524 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -76.15 -18.65 59.02 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.851 0.86 . . . . 70.02 110.427 171.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.59 -0.03 86.54 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 115.812 -0.631 . . . . 22.15 113.608 -175.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.454 ' HB3' HG22 ' A' ' 121' ' ' THR . 14.3 tpp180 -72.34 -39.67 67.98 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.792 0.837 . . . . 72.24 109.849 -176.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.8 p -118.44 -177.57 3.32 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.007 -0.997 . . . . 71.14 109.712 171.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -62.61 99.74 0.16 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.402 1.081 . . . . 64.44 111.729 -166.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.74 -52.07 66.42 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.293 1.037 . . . . 72.52 112.365 -173.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -77.42 6.97 5.97 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 116.078 -0.51 . . . . 74.35 112.195 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 134.07 143.36 4.88 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 112.067 -0.413 . . . . 41.42 112.067 167.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 -126.59 140.94 52.05 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.402 -1.333 . . . . 73.14 107.402 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.28 172.51 6.75 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.082 0.467 . . . . 63.55 111.601 -175.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.7 tt -153.17 138.47 17.51 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 106.764 -1.569 . . . . 71.31 106.764 170.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.5 110.95 23.37 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.457 -0.942 . . . . 73.35 108.457 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.7 122.82 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-N 115.154 -0.93 . . . . 62.31 108.872 -171.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -87.6 122.35 70.54 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 108.525 -0.917 . . . . 65.02 108.525 178.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.82 -28.28 86.86 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 122.625 2.217 . . . . 64.52 113.095 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 53.16 30.41 9.74 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 114.444 1.275 . . . . 73.2 114.444 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 58.98 27.8 62.76 Favored Glycine 0 N--CA 1.477 1.412 0 N-CA-C 114.117 0.407 . . . . 42.42 114.117 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.12 161.53 28.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.597 0.759 . . . . 65.22 110.928 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -140.13 179.68 6.49 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.758 -0.656 . . . . 63.1 109.357 -174.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -58.42 104.71 0.52 Allowed Glycine 0 C--N 1.353 1.514 0 C-N-CA 123.602 0.62 . . . . 71.04 113.352 -174.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.2 0.85 33.45 Favored Glycine 0 N--CA 1.467 0.751 0 CA-C-O 119.344 -0.698 . . . . 73.0 114.009 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 63' ' ' ARG . 21.7 m-20 -82.86 -169.16 2.36 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 117.665 0.733 . . . . 64.11 109.597 174.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -138.97 155.35 48.08 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 120.91 0.386 . . . . 74.31 111.577 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 21.9 m -137.17 177.09 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 124.463 1.105 . . . . 73.42 109.653 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.59 130.3 34.61 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.076 0.55 . . . . 71.44 111.684 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.0 mt -126.22 86.25 2.5 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.414 1.086 . . . . 74.31 108.422 166.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.498 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 25.4 p-10 -91.73 97.76 11.21 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.114 -0.948 . . . . 74.34 109.674 176.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -73.03 -26.31 61.26 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.098 -0.956 . . . . 64.32 111.634 -172.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.409 ' HB3' ' HB1' ' A' ' 182' ' ' ALA . 10.2 p-10 -68.48 -17.6 64.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.001 0.521 . . . . 61.34 111.327 174.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 19' ' ' ILE . 2.2 mm? -110.56 18.28 19.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.443 0.697 . . . . 65.24 111.722 174.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.1 149.72 27.11 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.525 0.679 . . . . 72.34 111.2 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -97.68 177.03 5.62 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.727 -1.124 . . . . 72.35 108.046 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -152.81 159.0 32.96 Favored Pre-proline 0 N--CA 1.471 0.582 0 O-C-N 121.911 -0.493 . . . . 71.44 110.968 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -80.79 124.46 5.09 Favored 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 121.315 1.343 . . . . 54.43 109.377 163.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -81.62 0.35 38.85 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.349 0.659 . . . . 72.25 111.651 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 42.1 t -56.23 -30.44 62.36 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.351 -0.841 . . . . 72.04 110.813 159.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.65 -27.23 66.69 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.866 0.867 . . . . 64.12 111.712 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -81.19 11.17 4.44 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.716 0.807 . . . . 73.14 111.68 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 104.24 6.72 41.68 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-O 119.395 -0.669 . . . . 72.22 114.423 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -81.0 159.25 41.46 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 117.612 0.706 . . . . 65.01 112.206 174.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 32.1 p -105.66 69.89 0.85 Allowed 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.276 0.56 . . . . 74.42 110.791 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -129.45 158.31 39.54 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.593 0.757 . . . . 75.02 111.289 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 42.9 p -74.7 115.55 14.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.237 -0.892 . . . . 71.21 112.098 -169.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 159' ' ' CYS . 33.8 m -100.63 113.81 26.98 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 107.616 -1.253 . . . . 34.42 107.616 174.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -72.68 100.25 2.77 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.944 -0.762 . . . . 63.41 108.944 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.59 121.31 47.85 Favored Pre-proline 0 CA--C 1.547 0.839 0 O-C-N 124.687 1.242 . . . . 74.1 110.274 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.09 138.31 43.35 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 122.312 2.008 . . . . 65.3 111.747 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.66 179.73 5.68 Favored 'Trans proline' 0 C--N 1.37 1.699 0 C-N-CA 122.566 2.177 . . . . 61.34 112.648 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -56.65 -27.93 59.56 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.236 1.014 . . . . 61.52 113.324 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -71.35 -26.22 62.72 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.776 0.322 . . . . 62.23 111.192 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -98.98 1.01 45.11 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.409 0.683 . . . . 71.32 110.54 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -85.84 116.75 24.28 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 108.824 -0.806 . . . . 62.41 108.824 170.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.519 HG11 HD23 ' A' ' 95' ' ' LEU . 89.4 t -94.69 115.68 65.57 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 124.515 1.126 . . . . 71.32 108.916 173.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -73.57 66.27 4.66 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.785 2.323 . . . . 72.5 111.472 166.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.13 139.56 19.53 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 124.793 1.237 . . . . 35.54 107.883 174.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.15 103.93 12.11 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.139 -0.689 . . . . 61.21 109.139 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.9 mp -93.81 98.23 7.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 106.34 -1.726 . . . . 74.52 106.34 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 36.6 p -84.77 59.77 5.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 122.569 1.176 . . . . 62.25 109.271 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' ' 152' ' ' ASN . . . . . . . . 0 N--CA 1.451 -0.405 0 CA-C-N 113.284 -1.78 . . . . 61.42 106.527 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.511 HG22 ' HG ' ' A' ' 6' ' ' LEU . 13.4 mt . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.901 -0.407 . . . . 72.1 109.901 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -65.76 128.24 19.52 Favored 'Trans proline' 0 C--N 1.371 1.713 0 C-N-CA 122.784 2.323 . . . . 72.44 110.787 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.511 ' HG ' HG22 ' A' ' 4' ' ' ILE . 24.9 mt -159.52 -53.72 0.01 OUTLIER Pre-proline 0 N--CA 1.483 1.192 0 C-N-CA 125.054 1.342 . . . . 52.34 109.935 -166.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.453 ' HD2' ' H ' ' A' ' 6' ' ' LEU . 66.9 Cg_endo -80.08 19.57 1.02 Allowed 'Trans proline' 0 C--N 1.396 3.055 0 C-N-CA 122.221 1.948 . . . . 71.34 112.459 178.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.33 -28.52 39.68 Favored 'Isoleucine or valine' 0 C--N 1.363 1.159 0 C-N-CA 123.981 0.912 . . . . 72.45 109.455 169.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -91.09 98.57 11.84 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 124.892 1.277 . . . . 61.13 109.067 168.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.55 156.87 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.582 1.153 . . . . 75.53 113.781 167.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.0 t -50.59 141.46 12.5 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 114.768 -1.105 . . . . 72.24 110.286 172.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -47.28 -36.63 9.42 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 114.493 1.294 . . . . 73.02 114.493 -165.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.89 -53.9 49.48 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.668 0.787 . . . . 64.04 111.395 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.39 -34.12 72.18 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.252 1.021 . . . . 72.21 111.138 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.418 ' O ' HG13 ' A' ' 19' ' ' ILE . 60.2 t90 -65.99 -45.25 82.31 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.78 1.232 . . . . 64.11 109.455 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HA ' HD12 ' A' ' 19' ' ' ILE . 23.5 ttm180 -63.76 -39.83 95.23 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.404 1.081 . . . . 71.33 110.565 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.69 88.47 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.511 0.724 . . . . 71.03 111.431 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -63.18 -45.57 91.2 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 122.796 0.439 . . . . 74.33 110.22 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 16' ' ' ARG . 82.9 mt -57.03 -47.26 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 O-C-N 123.88 0.737 . . . . 64.44 110.594 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.45 -44.26 84.6 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 124.575 1.172 . . . . 75.11 110.555 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.6 76.13 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.55 -0.75 . . . . 71.21 111.499 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -67.19 -46.61 73.42 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.03 0.932 . . . . 64.11 111.039 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 28.3 ptt180 -74.14 -32.26 63.07 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.029 -0.532 . . . . 74.15 110.698 -177.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.85 -40.88 79.11 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.932 0.493 . . . . 55.54 110.804 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.6 -55.85 29.78 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.912 -1.04 . . . . 71.45 110.372 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.617 ' HE2' ' HB3' ' A' ' 155' ' ' TYR . 47.6 mttp -68.34 -23.7 64.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.728 -0.669 . . . . 62.25 111.742 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.484 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -63.52 -54.76 31.24 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.405 0.621 . . . . 73.2 109.484 173.497 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -83.35 -13.25 55.43 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.22 -0.9 . . . . 64.44 111.412 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -55.34 -60.05 3.95 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.727 0.811 . . . . 74.12 111.668 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.711 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -75.0 -24.81 58.48 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.612 -0.267 . . . . 71.54 110.982 -178.496 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.74 -44.77 55.31 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.752 0.421 . . . . 64.04 111.562 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.4 p -119.06 -56.87 2.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.334 0.653 . . . . 42.33 111.455 -170.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -56.29 133.59 52.77 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.253 0.621 . . . . 64.31 112.462 -175.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.25 -15.61 61.92 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.595 1.158 . . . . 52.24 113.118 -168.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -61.54 -37.05 82.36 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.05 0.54 . . . . 72.42 112.278 -172.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -155.65 78.35 4.52 Favored Pre-proline 0 N--CA 1.48 1.064 0 C-N-CA 123.667 0.787 . . . . 63.53 109.057 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.63 128.21 14.92 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 122.376 2.051 . . . . 75.34 111.618 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.711 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 18.5 tt -69.82 136.01 87.72 Favored Pre-proline 0 CA--C 1.552 1.044 0 N-CA-C 108.384 -0.969 . . . . 60.14 108.384 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -35.62 134.44 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 124.405 3.403 . . . . 54.53 115.174 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -54.69 -25.1 40.4 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 124.14 3.227 . . . . 74.31 114.546 -171.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.38 76.91 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.05 0.54 . . . . 53.44 110.839 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -76.32 -37.44 57.38 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.726 0.81 . . . . 74.21 110.147 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HB2' HG23 ' A' ' 38' ' ' ILE . 37.6 ttp180 -67.33 -35.14 78.79 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.981 0.912 . . . . 63.32 111.395 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.95 -44.13 47.27 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.727 -0.549 . . . . 61.2 111.727 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.82 21.2 3.15 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.973 0.909 . . . . 74.31 112.435 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.98 108.63 2.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.823 0.849 . . . . 62.05 111.687 -175.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -94.84 -38.51 10.71 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.991 0.916 . . . . 70.53 109.799 170.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.92 168.97 11.85 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.103 -0.953 . . . . 73.23 111.602 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 27' ' ' ASP . 1.2 pt? -135.99 80.5 1.83 Allowed 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 122.202 1.001 . . . . 61.1 109.406 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.51 123.8 2.22 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.933 -1.031 . . . . 73.41 109.27 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -131.24 -158.08 0.87 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.25 1.02 . . . . 61.22 108.545 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -55.53 111.98 1.02 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 109.123 -0.695 . . . . 72.15 109.123 176.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 152' ' ' ASN . 21.8 p-10 -122.56 -51.78 1.94 Allowed 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.056 -1.028 . . . . 73.31 110.564 -171.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.451 ' HA ' HD22 ' A' ' 152' ' ' ASN . 3.9 mt -80.76 105.81 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 121.467 0.651 . . . . 53.43 110.776 -175.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.452 ' H ' ' ND2' ' A' ' 152' ' ' ASN . 30.3 t70 -136.28 114.19 11.27 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.202 -1.363 . . . . 70.22 109.544 166.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.95 -10.55 58.98 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.448 0.907 . . . . 54.25 113.448 -171.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 m -75.03 -27.92 60.26 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 110.017 -0.364 . . . . 63.13 110.017 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.498 ' HB2' ' HB3' ' A' ' 152' ' ' ASN . 67.0 m-85 -90.61 13.17 16.68 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 113.091 0.774 . . . . 75.34 113.091 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -112.43 115.86 29.36 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.521 -0.918 . . . . 74.13 108.521 173.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.9 m -115.49 171.07 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.372 0.669 . . . . 62.12 110.369 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.27 125.66 53.35 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.093 -1.077 . . . . 71.13 108.093 170.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -110.5 146.32 36.18 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.731 0.813 . . . . 72.35 110.248 -175.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -80.11 120.42 24.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.199 -0.667 . . . . 72.44 109.199 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -82.11 122.26 27.63 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.899 0.88 . . . . 74.3 109.811 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -124.07 100.44 36.46 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 124.288 1.035 . . . . 75.3 108.46 173.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -69.66 148.0 64.73 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.172 1.915 . . . . 54.25 111.278 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.9 99.82 3.92 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.901 -1.148 . . . . 63.53 107.901 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -60.61 -23.35 64.65 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.108 0.963 . . . . 71.42 109.627 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -123.65 90.85 50.27 Favored Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 108.533 -0.914 . . . . 75.41 108.533 167.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.45 131.86 19.63 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 122.058 1.838 . . . . 53.3 111.443 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -133.61 147.2 51.47 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.03 0.532 . . . . 74.44 111.112 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.17 126.52 31.59 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.151 0.98 . . . . 71.04 110.077 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.6 m -122.22 154.37 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.814 1.246 . . . . 75.4 108.963 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 37.5 mt-10 -111.4 112.67 24.58 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.192 0.997 . . . . 74.43 108.933 -178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -99.36 141.02 32.67 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.522 -0.918 . . . . 74.2 108.522 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.81 149.89 48.53 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.079 0.552 . . . . 62.41 110.626 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.0 p -138.7 162.44 34.68 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.558 0.343 . . . . 73.33 110.304 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.2 p -95.62 -34.42 12.0 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.424 0.69 . . . . 74.44 110.912 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.758 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 4.1 tmt_? -75.24 -31.45 60.82 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.767 0.427 . . . . 74.53 111.922 -175.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.93 -138.89 2.7 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 120.338 -0.934 . . . . 71.13 114.379 -175.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -62.93 158.07 45.12 Favored 'Trans proline' 0 C--N 1.381 2.248 0 C-N-CA 123.559 2.839 . . . . 54.2 112.952 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HB2' ' HB3' ' A' ' 74' ' ' GLU . 23.3 Cg_endo -59.08 137.88 82.06 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.381 2.054 . . . . 74.51 111.634 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 124.75 36.5 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 123.886 0.874 . . . . 74.2 109.695 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 40.2 mt-10 -84.53 123.84 30.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.929 0.891 . . . . 53.44 110.246 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -139.5 147.61 41.52 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.272 1.029 . . . . 73.41 108.43 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.7 m -99.03 140.42 33.2 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.63 -0.508 . . . . 51.53 109.63 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.9 mtm105 -75.18 108.73 8.13 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.467 -0.938 . . . . 73.32 108.467 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.462 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -88.88 -41.27 12.55 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.527 0.731 . . . . 75.24 110.345 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . . . -157.59 174.78 14.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.61 -0.723 . . . . 71.34 110.809 -176.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.4 t -138.83 125.09 24.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 C-N-CA 125.485 1.514 . . . . 72.53 107.483 171.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -96.04 123.56 39.69 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.513 1.125 . . . . 54.22 109.948 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -107.73 117.07 5.07 Favored Glycine 0 C--N 1.341 0.806 0 N-CA-C 109.994 -1.242 . . . . 44.0 109.994 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.54 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 38.5 p90 -147.05 149.56 33.33 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.205 0.602 . . . . 70.33 110.517 -171.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 3.4 m-20 -81.93 138.03 35.06 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.211 0.604 . . . . 51.31 109.696 173.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 180' ' ' ILE . 29.2 tp -158.11 124.7 4.82 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 108.708 -0.849 . . . . 74.44 108.708 178.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.9 -102.2 1.2 Allowed Glycine 0 C--N 1.351 1.412 0 N-CA-C 111.064 -0.814 . . . . 63.32 111.064 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -113.56 -14.31 12.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.335 1.054 . . . . 74.43 111.246 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.537 ' HB2' ' HG3' ' A' ' 177' ' ' PRO . 44.2 m -129.55 135.36 48.49 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.358 0.599 . . . . 55.21 112.439 -162.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 9.0 p80 -83.79 111.69 19.42 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 107.54 -1.281 . . . . 72.41 107.54 167.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -125.9 162.43 25.2 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 124.682 1.193 . . . . 62.21 108.323 -167.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.4 p -105.59 160.02 15.5 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.907 0.483 . . . . 65.53 110.698 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 117' ' ' PHE . 14.5 tp -147.04 119.18 8.25 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.96 -0.564 . . . . 62.53 109.561 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.544 ' H ' ' ND2' ' A' ' 174' ' ' ASN . 8.6 m -81.62 123.84 29.03 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 110.026 -0.361 . . . . 73.1 110.026 -172.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . . . -94.39 118.44 31.63 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.199 -1.037 . . . . 65.34 108.199 176.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -92.36 158.81 15.88 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.612 0.72 . . . . 74.33 111.774 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.462 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 31.3 ttt-85 -97.64 120.45 38.04 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.408 -1.269 . . . . 74.44 109.379 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -114.75 114.62 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.233 1.013 . . . . 42.42 109.475 171.266 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.98 142.79 50.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.263 -0.881 . . . . 74.42 110.904 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.78 -37.66 3.34 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 115.643 -0.708 . . . . 62.05 111.682 -169.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.487 ' HB2' HG23 ' A' ' 107' ' ' VAL . 1.3 mp0 -87.73 126.3 34.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.342 1.057 . . . . 71.44 109.655 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.6 t -75.01 -13.57 60.52 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.202 0.601 . . . . 74.33 110.873 171.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.4 m -88.98 144.47 26.15 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.456 0.702 . . . . 51.11 110.028 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.402 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 74.8 mt -82.85 136.38 34.64 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.635 -0.876 . . . . 63.5 108.635 170.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.26 99.98 11.64 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.42 -1.326 . . . . 55.11 107.42 -176.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.8 t -111.17 103.62 55.14 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 123.462 0.705 . . . . 63.41 109.875 -169.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.503 ' HB2' ' HG3' ' A' ' 170' ' ' PRO . 60.7 Cg_endo -84.2 144.8 10.7 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.869 2.379 . . . . 70.13 112.344 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.598 ' HB3' HD11 ' A' ' 102' ' ' LEU . 47.8 p90 -149.84 153.9 37.52 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.633 0.73 . . . . 72.51 112.481 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 p -127.16 148.2 50.18 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 113.607 -1.633 . . . . 74.32 108.459 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.459 ' HB3' HD13 ' A' ' 180' ' ' ILE . 1.0 OUTLIER -123.7 -172.74 2.59 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.583 1.153 . . . . 62.23 110.568 -174.061 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.16 -27.06 42.68 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.02 0.528 . . . . 75.4 111.449 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.489 HG21 ' HB ' ' A' ' 181' ' ' THR . 0.0 OUTLIER -71.88 -13.25 61.61 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.197 0.599 . . . . 71.44 111.751 -178.082 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.503 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 62.8 p -60.3 -40.01 88.98 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.572 0.749 . . . . 75.14 111.403 171.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.8 -29.48 70.75 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.434 1.094 . . . . 43.13 111.773 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -76.37 -24.22 54.15 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.601 0.76 . . . . 63.31 110.258 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.55 -5.11 39.13 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-N 115.749 -0.66 . . . . 72.54 114.1 -176.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -77.55 -15.64 59.13 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.17 0.588 . . . . 73.54 111.122 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 128' ' ' TYR . 1.2 m -125.39 -176.8 3.69 Favored 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 107.664 -1.236 . . . . 53.4 107.664 173.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.447 ' H ' HG22 ' A' ' 127' ' ' THR . 14.9 m-85 -74.04 89.56 1.95 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.944 0.898 . . . . 73.13 112.582 -160.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.503 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 12.6 pt-20 -70.73 -22.16 62.46 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.733 0.413 . . . . 53.15 111.499 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -77.15 -18.81 57.58 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.142 0.577 . . . . 74.31 110.262 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 109.58 176.37 21.21 Favored Glycine 0 C--N 1.345 1.042 0 CA-C-N 115.528 -0.76 . . . . 63.4 112.683 173.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 0.6 OUTLIER -124.61 163.07 22.75 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.665 1.186 . . . . 74.14 109.667 177.504 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.462 ' OH ' ' HB3' ' A' ' 168' ' ' ALA . 6.0 m-85 -118.92 166.51 12.75 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.631 -1.168 . . . . 75.42 108.757 164.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.53 134.51 22.59 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 107.853 -1.165 . . . . 70.22 107.853 174.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -96.78 100.79 12.32 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 108.09 -1.078 . . . . 75.32 108.09 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.01 119.9 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 115.624 -0.716 . . . . 30.32 109.083 -174.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -97.49 119.99 61.67 Favored Pre-proline 0 N--CA 1.472 0.647 0 N-CA-C 108.062 -1.088 . . . . 71.41 108.062 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.402 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 49.3 Cg_endo -67.89 -24.93 39.39 Favored 'Trans proline' 0 C--N 1.37 1.658 0 C-N-CA 122.674 2.249 . . . . 74.43 113.008 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.53 -80.53 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.647 1.179 . . . . 71.12 110.439 -167.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -155.55 44.57 0.54 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.65 -0.98 . . . . 62.52 110.65 171.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -79.75 142.2 35.62 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.25 0.62 . . . . 51.53 109.756 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -131.54 -179.89 5.64 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 108.008 -1.108 . . . . 72.22 108.008 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -47.35 99.46 0.02 OUTLIER Glycine 0 C--N 1.355 1.611 0 C-N-CA 124.267 0.937 . . . . 72.13 114.613 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.69 -1.16 27.54 Favored Glycine 0 N--CA 1.47 0.928 0 CA-C-O 119.292 -0.727 . . . . 71.31 114.848 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -81.63 -172.28 3.77 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 118.015 0.907 . . . . 61.21 108.906 173.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.38 155.45 48.51 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.301 0.572 . . . . 54.44 112.378 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 13.4 m -141.19 152.77 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.317 1.447 . . . . 75.45 108.726 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.37 116.5 15.11 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.936 0.495 . . . . 73.53 111.83 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.7 mt -99.76 93.81 6.01 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.646 0.778 . . . . 73.05 109.964 170.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.457 ' HB3' HD23 ' A' ' 153' ' ' LEU . 30.9 m-20 -93.08 96.35 10.0 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.749 -0.659 . . . . 72.41 109.39 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.496 ' HB3' HG21 ' A' ' 180' ' ' ILE . 12.8 m-85 -72.61 -32.59 66.06 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.229 0.538 . . . . 65.32 111.321 -174.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.498 ' HB3' ' HB2' ' A' ' 58' ' ' PHE . 6.2 p-10 -74.54 -13.1 60.63 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.256 -0.884 . . . . 74.41 111.699 -175.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.457 HD23 ' HB3' ' A' ' 150' ' ' ASP . 1.3 mm? -109.25 20.52 18.21 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.586 0.754 . . . . 75.12 110.697 172.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.15 140.52 52.69 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.821 0.701 . . . . 62.05 110.975 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.617 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 98.3 m-85 -97.7 157.4 16.07 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 115.018 -0.992 . . . . 74.43 110.369 -168.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.405 ' OD1' ' HD3' ' A' ' 26' ' ' LYS . 6.6 p30 -100.56 123.43 46.1 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 114.788 -1.096 . . . . 62.13 113.381 -162.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.89 126.08 11.61 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 121.817 1.678 . . . . 62.43 109.882 160.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -85.39 -9.7 57.23 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.827 0.851 . . . . 74.31 112.592 -168.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . 0.758 ' SG ' ' HB2' ' A' ' 79' ' ' ARG . 34.7 t -55.31 -46.06 76.3 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.353 1.061 . . . . 52.31 111.785 178.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.81 -13.16 62.14 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.384 -0.825 . . . . 61.42 111.823 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -92.4 10.83 28.31 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.343 1.057 . . . . 74.32 110.054 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 124.87 -82.5 0.35 Allowed Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.824 -0.625 . . . . 72.02 112.026 170.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -135.58 99.29 0.31 Allowed Glycine 0 C--N 1.343 0.925 0 O-C-N 123.751 0.324 . . . . 43.14 112.562 -169.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 65.1 m -157.28 -159.62 0.87 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.599 1.159 . . . . 73.52 108.674 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.438 ' O ' ' HB2' ' A' ' 159' ' ' CYS . 97.1 m-85 -69.98 157.63 37.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.206 0.603 . . . . 63.24 109.723 170.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 77.7 p -67.15 151.18 48.04 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.992 0.917 . . . . 54.13 112.301 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 159' ' ' CYS . 25.4 p -104.33 116.34 31.98 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.428 -0.953 . . . . 74.32 108.428 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.462 ' HB3' ' OH ' ' A' ' 133' ' ' TYR . . . -70.83 100.5 1.93 Allowed 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.32 -0.622 . . . . 74.34 109.32 177.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 170' ' ' PRO . 87.4 mt -57.58 115.4 10.76 Favored Pre-proline 0 C--O 1.246 0.899 0 C-N-CA 124.495 1.118 . . . . 75.15 109.463 176.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.503 ' HG3' ' HB2' ' A' ' 116' ' ' PRO . 34.7 Cg_exo -60.92 131.39 36.96 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.633 2.222 . . . . 73.31 111.856 -174.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -53.57 167.51 0.93 Allowed 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 123.517 2.811 . . . . 74.22 113.659 176.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -60.46 -28.4 68.28 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.65 -0.705 . . . . 72.24 111.32 173.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.09 -14.82 59.75 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.752 0.821 . . . . 74.31 111.429 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.544 ' ND2' ' H ' ' A' ' 103' ' ' THR . 10.9 m120 -107.01 13.97 26.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.849 0.86 . . . . 53.14 110.762 173.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -95.59 105.93 17.97 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.285 -1.006 . . . . 73.35 108.285 170.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 31.1 m -77.52 150.87 79.95 Favored Pre-proline 0 CA--C 1.556 1.182 0 C-N-CA 123.262 0.625 . . . . 71.01 109.89 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.537 ' HG3' ' HB2' ' A' ' 98' ' ' SER . 28.2 Cg_endo -86.48 22.77 0.89 Allowed 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 123.108 2.539 . . . . 72.55 113.444 -174.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -133.89 157.15 46.71 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.315 0.646 . . . . 42.13 109.859 -177.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 121' ' ' THR . . . -88.38 123.03 32.54 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.013 0.925 . . . . 63.5 109.931 178.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . 0.572 HD11 HD21 ' A' ' 95' ' ' LEU . 2.5 mp -109.93 92.59 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 107.057 -1.46 . . . . 73.41 107.057 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . 0.489 ' HB ' HG21 ' A' ' 121' ' ' THR . 2.7 t -103.54 89.08 3.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.374 -0.83 . . . . 74.32 109.752 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 108.192 -1.04 . . . . 51.15 108.192 174.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mt . . . . . 0 CA--C 1.543 0.681 0 N-CA-C 108.85 -0.796 . . . . 62.53 108.85 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -75.85 124.23 7.94 Favored 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 122.469 2.112 . . . . 72.23 109.819 176.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 173.87 -59.89 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.383 0 C-N-CA 125.021 1.328 . . . . 65.32 107.952 -174.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -79.92 37.17 0.65 Allowed 'Trans proline' 0 C--N 1.402 3.352 0 C-N-CA 122.276 1.984 . . . . 74.35 113.873 -177.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.488 HG11 ' HB2' ' A' ' 139' ' ' ALA . 10.8 m -76.87 -14.64 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-O 121.434 0.635 . . . . 63.43 109.796 162.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 t -101.28 109.7 21.59 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 106.263 -1.754 . . . . 74.11 106.263 161.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.62 178.45 1.65 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.256 0.836 . . . . 75.41 113.256 -172.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.7 t -51.16 145.09 8.27 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 114.608 -1.178 . . . . 52.04 109.202 162.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -49.61 -26.21 3.43 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.533 1.308 . . . . 72.32 114.533 -167.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.27 -61.27 2.22 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.984 0.913 . . . . 62.1 110.406 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 18' ' ' ARG . . . -74.87 -21.62 59.13 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.163 0.985 . . . . 74.42 111.52 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.435 ' NE1' HD11 ' A' ' 19' ' ' ILE . 24.8 t90 -70.8 -57.12 4.96 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.841 0.857 . . . . 74.21 109.848 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -65.86 -31.79 72.93 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.628 0.371 . . . . 61.2 111.207 178.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.0 -49.19 77.69 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.993 0.517 . . . . 75.34 110.657 169.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 5.9 ttt180 -58.03 -46.99 84.43 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 124.611 1.164 . . . . 63.54 110.25 -178.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.435 HD11 ' NE1' ' A' ' 15' ' ' TRP . 54.2 mt -66.78 -52.33 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 115.24 -0.891 . . . . 74.14 111.271 -176.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.92 99.56 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.672 0.608 . . . . 63.13 110.842 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.51 -40.69 63.85 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.124 0.57 . . . . 64.21 112.181 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -78.77 -29.11 44.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.405 0.282 . . . . 75.45 110.513 -177.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.0 tpt85 -76.92 -28.59 55.33 Favored 'General case' 0 C--O 1.21 -0.998 0 N-CA-C 108.923 -0.769 . . . . 74.22 108.923 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.72 80.59 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.901 0.48 . . . . 33.23 110.384 171.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.72 -45.67 93.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.681 0.793 . . . . 61.22 109.731 170.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -76.38 -13.88 60.11 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.217 -0.901 . . . . 73.23 112.612 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -77.93 -42.59 32.57 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.684 0.794 . . . . 74.31 110.425 168.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -82.84 -13.4 56.24 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 122.17 -0.331 . . . . 73.3 110.153 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -53.73 -45.24 70.44 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.996 0.918 . . . . 51.41 112.605 174.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -82.51 -14.38 55.06 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.356 0.502 . . . . 71.13 112.356 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.51 -50.93 4.76 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.272 0.629 . . . . 71.14 112.054 -174.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.9 p -107.96 -58.19 2.01 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.897 0.879 . . . . 50.43 110.581 -172.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -52.44 120.98 6.19 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.23 1.012 . . . . 53.53 111.335 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.38 -11.91 61.21 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.754 1.222 . . . . 45.24 113.062 -168.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -64.6 -24.73 67.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.685 0.794 . . . . 44.52 111.794 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 47.5 t -152.93 87.04 4.07 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 108.442 -0.947 . . . . 70.31 108.442 -174.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -87.28 129.85 2.82 Favored 'Trans proline' 0 C--N 1.367 1.505 0 C-N-CA 122.201 1.934 . . . . 74.31 114.231 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.421 HG13 ' HB2' ' A' ' 30' ' ' LEU . 15.7 mt -81.93 131.62 56.49 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 108.026 -1.102 . . . . 75.11 108.026 164.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.688 ' HD3' ' HA2' ' A' ' 162' ' ' GLY . 87.0 Cg_exo -49.03 130.68 24.31 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 123.634 2.89 . . . . 74.01 112.767 172.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -47.7 -37.9 28.39 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 124.835 3.69 . . . . 73.05 115.683 -169.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.05 83.51 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.335 0.254 . . . . 44.14 110.756 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.22 -33.35 65.29 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.871 0.868 . . . . 75.14 110.6 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -63.45 -22.24 66.77 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.617 0.767 . . . . 75.14 111.461 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.93 -35.06 89.85 Favored Glycine 0 C--N 1.348 1.241 0 CA-C-N 116.416 -0.357 . . . . 70.11 113.013 171.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.81 13.82 15.28 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.756 0.822 . . . . 62.24 112.11 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -88.56 119.4 28.98 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.655 -0.498 . . . . 74.52 109.655 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -108.22 -47.96 3.44 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 108.04 -1.096 . . . . 73.44 108.04 166.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.47 146.52 4.82 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 114.624 -1.171 . . . . 63.43 110.344 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.17 106.69 6.81 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.556 -0.905 . . . . 42.5 108.556 176.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 172.03 10.65 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.527 -0.916 . . . . 72.01 108.527 170.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -166.6 164.66 16.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.167 0.587 . . . . 72.12 110.332 -170.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -59.9 155.73 15.88 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.024 0.828 . . . . 65.32 109.421 171.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -74.8 150.82 39.18 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 108.128 -1.064 . . . . 73.11 108.128 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.415 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.5 mp -69.14 122.25 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 109.405 -0.591 . . . . 72.13 109.405 -167.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -112.26 128.32 56.23 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 122.976 0.51 . . . . 74.34 109.9 -172.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.09 -9.29 59.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.519 1.128 . . . . 73.03 112.096 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.1 m -70.28 -31.59 69.02 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.853 0.461 . . . . 74.43 110.619 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 182' ' ' ALA . 61.1 m-85 -104.17 12.65 33.59 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.444 0.698 . . . . 74.31 110.316 -178.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -93.35 83.26 4.55 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 107.194 -1.41 . . . . 75.44 107.194 165.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 m -104.07 170.19 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-O 120.925 0.393 . . . . 71.22 110.418 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.77 145.2 43.01 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.753 -0.832 . . . . 74.44 108.753 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.409 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . . . -127.63 141.18 51.69 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.27 0.628 . . . . 63.2 110.448 -178.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.4 ttm105 -73.66 116.32 14.11 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.01 -0.737 . . . . 74.3 109.01 -176.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -77.86 106.88 9.99 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.389 -0.823 . . . . 72.45 109.037 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -106.58 97.6 17.43 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 107.688 -1.227 . . . . 63.34 107.688 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -63.48 144.22 89.94 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 122.526 2.151 . . . . 72.13 110.482 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.0 98.53 0.43 Allowed 'General case' 0 C--N 1.345 0.405 0 CA-C-O 121.349 0.595 . . . . 74.42 110.232 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -61.87 -35.16 77.49 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.337 -1.301 . . . . 64.12 109.8 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -126.32 96.26 36.82 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 124.752 1.221 . . . . 70.24 108.921 168.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.02 121.11 5.24 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 122.508 2.139 . . . . 73.02 112.779 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -120.0 140.85 50.32 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.27 0.628 . . . . 60.05 111.546 -177.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.14 110.16 15.29 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.109 0.964 . . . . 65.14 110.129 174.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 m -106.52 160.04 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.24 1.016 . . . . 73.24 109.946 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -109.65 120.05 41.29 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.938 0.895 . . . . 73.13 108.646 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.619 ' HB2' ' HB1' ' A' ' 168' ' ' ALA . 0.7 OUTLIER -113.82 127.21 55.91 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 107.476 -1.305 . . . . 75.44 107.476 175.058 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.09 153.26 41.33 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 117.984 0.356 . . . . 64.24 110.322 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.7 p -128.5 167.17 17.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.576 0.35 . . . . 74.34 110.658 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.1 p -92.73 -26.66 17.66 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.152 0.981 . . . . 74.04 111.737 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.7 -30.07 59.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.214 0.606 . . . . 72.03 112.254 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.64 -123.11 1.05 Allowed Glycine 0 C--N 1.348 1.215 0 CA-C-O 118.888 -0.951 . . . . 63.15 112.968 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -68.88 153.64 72.38 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 123.305 2.67 . . . . 54.14 112.791 -172.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.06 140.77 91.54 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.68 2.254 . . . . 73.04 112.626 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.04 125.97 40.95 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 124.188 0.995 . . . . 74.42 109.395 -176.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -83.27 133.46 34.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.255 0.622 . . . . 72.55 110.048 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -141.07 136.37 31.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.372 0.669 . . . . 62.11 109.754 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -94.37 132.19 39.24 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.413 -0.958 . . . . 73.41 108.413 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.535 ' HD2' HG21 ' A' ' 103' ' ' THR . 10.3 mtm180 -72.87 113.31 9.76 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.09 -0.707 . . . . 75.32 109.09 -175.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -84.05 -42.79 15.78 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.08 0.952 . . . . 72.04 111.191 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.99 174.61 15.09 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.165 -0.925 . . . . 74.14 109.895 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.565 HG12 HG22 ' A' ' 101' ' ' THR . 0.1 OUTLIER -139.24 119.89 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.025 0 N-CA-C 107.706 -1.22 . . . . 73.04 107.706 174.37 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' A' ' 104' ' ' ALA . 1.5 mm? -96.96 117.95 32.28 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.147 0.979 . . . . 61.1 110.798 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.58 121.26 6.19 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-O 119.648 -0.529 . . . . 72.53 112.136 -176.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.409 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 33.9 p90 -155.1 -176.21 5.82 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 117.587 0.693 . . . . 73.53 110.206 -173.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -135.07 160.06 39.53 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 123.133 0.573 . . . . 73.41 110.359 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.6 tp -159.02 135.11 8.96 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 107.247 -1.39 . . . . 72.14 107.247 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.11 -108.56 2.45 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-N 117.988 0.358 . . . . 64.43 112.954 -174.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -123.89 10.1 8.86 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.221 1.009 . . . . 70.42 109.39 175.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m -117.9 121.46 40.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.639 0.375 . . . . 72.11 110.952 -171.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -98.22 129.91 44.96 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.442 -0.947 . . . . 70.51 108.442 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -143.79 165.55 27.36 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.48 0.657 . . . . 75.13 110.582 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.565 HG22 HG12 ' A' ' 90' ' ' VAL . 3.2 m -124.89 119.34 28.53 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 107.091 -1.448 . . . . 73.33 107.091 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mp -104.67 133.94 48.66 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.386 -0.968 . . . . 72.11 108.386 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.535 HG21 ' HD2' ' A' ' 87' ' ' ARG . 58.3 m -84.65 133.55 34.4 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 120.823 0.344 . . . . 74.45 110.368 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.563 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -98.08 121.11 39.6 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 107.822 -1.177 . . . . 74.05 107.822 171.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -94.3 160.96 14.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.574 0.702 . . . . 74.15 111.384 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.508 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 42.3 ttm180 -101.78 113.38 26.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.057 -1.429 . . . . 73.2 108.412 -173.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.94 110.2 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.445 1.098 . . . . 61.15 108.841 177.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.3 122.76 13.28 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.636 1.575 . . . . 65.42 112.282 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.86 -16.7 56.19 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.756 -0.657 . . . . 54.42 113.429 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -88.21 120.74 29.86 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.664 0.786 . . . . 71.4 110.173 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.2 t -60.19 -24.67 64.98 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.377 1.471 . . . . 44.23 113.391 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.3 m -98.85 166.99 11.04 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.069 0.547 . . . . 61.23 111.249 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.501 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 82.9 mt -101.36 137.48 39.65 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.715 1.206 . . . . 52.2 108.892 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -94.02 97.18 10.15 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.965 -0.754 . . . . 72.33 108.965 -170.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.563 HG22 ' HA ' ' A' ' 104' ' ' ALA . 55.1 t -104.96 107.22 58.17 Favored Pre-proline 0 N--CA 1.483 1.223 0 C-N-CA 123.008 0.523 . . . . 60.41 110.146 -176.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.8 144.97 17.66 Favored 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 122.215 1.943 . . . . 74.4 110.071 168.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -159.57 156.48 28.13 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 122.372 -0.205 . . . . 74.43 110.562 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.8 p -121.15 145.8 47.44 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.096 -0.705 . . . . 71.52 109.096 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -118.29 -173.77 2.53 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.547 1.139 . . . . 53.42 109.035 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -81.03 -21.47 40.12 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 109.994 -0.373 . . . . 75.44 109.994 163.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.9 m -71.53 -34.89 70.45 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.171 0.988 . . . . 63.03 111.004 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 60.4 p -71.41 -39.31 71.18 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.708 -0.678 . . . . 73.25 109.822 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.07 -35.21 77.95 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.131 0.972 . . . . 74.54 110.941 172.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -74.6 -18.53 60.55 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.551 1.14 . . . . 74.45 110.849 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 92.33 -21.59 37.09 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 119.138 -0.812 . . . . 42.41 114.96 175.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -73.19 -12.5 60.9 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 117.881 0.841 . . . . 61.31 113.205 -170.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.529 ' HB ' ' HD3' ' A' ' 132' ' ' ARG . 59.9 p -123.63 155.98 36.7 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 106.538 -1.653 . . . . 64.44 106.538 159.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.406 ' OH ' ' HB3' ' A' ' 160' ' ' ALA . 8.3 m-85 -40.89 118.19 0.95 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 113.685 0.994 . . . . 71.22 113.685 -170.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.15 -34.87 70.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.605 1.162 . . . . 55.34 112.69 -173.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -84.36 9.01 14.27 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.543 0.737 . . . . 61.41 111.591 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 108.02 178.21 22.13 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 116.049 -0.523 . . . . 74.04 112.273 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.529 ' HD3' ' HB ' ' A' ' 127' ' ' THR . 78.3 mtm180 -130.74 -179.97 5.61 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 124.903 1.281 . . . . 71.21 108.854 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -126.49 157.46 38.65 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 124.686 1.195 . . . . 73.31 109.986 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.9 tt -141.93 121.13 13.02 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 105.28 -2.118 . . . . 72.34 105.28 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -98.19 109.34 22.11 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.096 -1.446 . . . . 75.41 107.096 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 113' ' ' LEU . 89.0 t -98.92 123.5 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 115.279 -0.873 . . . . 74.21 110.506 -169.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -82.35 114.71 53.33 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 107.115 -1.439 . . . . 65.23 107.115 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.33 -23.89 72.02 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.768 2.312 . . . . 74.33 113.619 -175.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.488 ' HB2' HG11 ' A' ' 8' ' ' VAL . . . 52.85 32.14 11.88 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 114.294 1.22 . . . . 65.3 114.294 176.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 65.86 25.76 71.98 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.661 -0.7 . . . . 73.43 113.997 -176.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.65 163.4 23.9 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.239 0.829 . . . . 65.4 113.239 -175.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -139.09 174.17 10.79 Favored 'General case' 0 C--O 1.253 1.275 0 C-N-CA 124.772 1.229 . . . . 71.33 108.119 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.66 108.74 2.12 Favored Glycine 0 C--N 1.342 0.917 0 C-N-CA 123.27 0.462 . . . . 75.3 113.495 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.35 10.44 44.77 Favored Glycine 0 C--N 1.343 0.949 0 O-C-N 124.142 0.554 . . . . 74.14 113.317 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.48 -170.75 3.22 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 109.33 -0.618 . . . . 75.54 109.33 167.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -128.15 158.73 37.23 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.775 0.43 . . . . 61.11 110.38 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 15.9 m -135.94 146.51 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 108.429 -0.952 . . . . 75.43 108.429 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.8 105.96 6.11 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 122.738 0.415 . . . . 61.03 110.506 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 7.3 mt -94.81 86.32 4.67 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-O 122.548 1.166 . . . . 64.21 109.228 173.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.64 105.97 17.71 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 113.421 -1.718 . . . . 74.12 109.027 173.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.539 ' HB3' HG21 ' A' ' 180' ' ' ILE . 24.9 m-85 -71.59 -15.27 62.26 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.514 0.726 . . . . 73.45 110.481 174.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.534 ' HB3' ' HB1' ' A' ' 182' ' ' ALA . 2.0 p-10 -76.69 -3.83 40.06 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.56 1.144 . . . . 71.44 112.681 173.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -112.44 5.61 18.18 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.176 0.591 . . . . 53.2 111.151 168.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.79 131.02 49.62 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.41 0.624 . . . . 50.22 111.845 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -99.45 166.47 11.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.103 1.361 . . . . 74.01 109.665 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -152.48 141.97 14.57 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 124.467 1.107 . . . . 74.1 108.165 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.39 120.43 7.38 Favored 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 121.212 1.274 . . . . 71.11 110.605 177.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.432 ' CD1' HD12 ' A' ' 30' ' ' LEU . 86.0 m-85 -85.6 -2.75 58.49 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.742 0.817 . . . . 75.21 112.338 -175.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 11.0 m -62.02 -20.4 63.88 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.183 0.993 . . . . 61.34 112.197 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.428 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . . . -63.7 -32.47 73.97 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.0 0.52 . . . . 45.35 112.063 174.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -65.07 -12.3 49.1 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.652 0.781 . . . . 72.51 110.962 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.688 ' HA2' ' HD3' ' A' ' 39' ' ' PRO . . . -93.23 -40.13 4.91 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 124.122 0.889 . . . . 50.31 111.042 172.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 163.71 -40.65 0.32 Allowed Glycine 0 C--N 1.352 1.434 0 O-C-N 123.39 0.112 . . . . 53.15 112.876 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.1 t -157.26 162.29 39.21 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.037 0.935 . . . . 64.54 109.542 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 160' ' ' ALA . 2.0 p90 -152.96 139.19 18.39 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.667 0.387 . . . . 72.33 110.868 -168.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 63.3 p -83.64 94.12 8.03 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 109.26 -0.645 . . . . 75.22 109.26 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 53.2 t -121.93 112.68 18.6 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 108.229 -1.026 . . . . 65.34 108.229 173.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' A' ' 75' ' ' LEU . . . -71.15 112.19 7.1 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 108.225 -1.028 . . . . 60.21 108.225 170.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 68.6 mt -59.18 122.69 65.24 Favored Pre-proline 0 CA--C 1.547 0.864 0 O-C-N 124.405 1.065 . . . . 71.31 109.613 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.71 146.67 96.54 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.792 2.328 . . . . 73.34 112.479 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.19 158.73 21.05 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 122.243 1.962 . . . . 74.23 112.571 168.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -54.04 -27.96 35.58 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 114.022 1.119 . . . . 75.14 114.022 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -79.46 -15.39 57.88 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.178 0.513 . . . . 74.05 110.753 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.447 HD21 ' H ' ' A' ' 103' ' ' THR . 9.0 m120 -88.73 8.24 29.79 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.163 0.985 . . . . 74.11 110.66 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -90.25 122.86 33.55 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.854 -0.529 . . . . 61.03 109.91 172.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 41.4 t -98.43 109.99 54.83 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.568 1.147 . . . . 74.24 108.094 170.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.69 57.04 2.4 Favored 'Trans proline' 0 C--N 1.374 1.913 0 C-N-CA 124.087 3.191 . . . . 73.24 113.274 173.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -146.06 145.1 30.44 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.292 1.037 . . . . 73.45 108.892 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -84.35 103.5 13.57 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.281 0.633 . . . . 35.4 109.441 177.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . 0.539 HG21 ' HB3' ' A' ' 151' ' ' PHE . 1.9 mp -85.95 98.02 6.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 108.463 -0.94 . . . . 64.13 108.463 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 40.7 p -105.44 67.75 0.78 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 122.547 1.165 . . . . 63.22 108.77 171.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.534 ' HB1' ' HB3' ' A' ' 152' ' ' ASN . . . . . . . . 0 N--CA 1.473 0.683 0 CA-C-N 113.571 -1.65 . . . . 64.12 106.79 170.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 tt . . . . . 0 CA--C 1.561 1.369 0 N-CA-C 109.314 -0.624 . . . . 74.2 109.314 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 19.5 Cg_endo -67.48 127.43 16.45 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 121.936 1.757 . . . . 62.51 110.997 -177.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mt -172.63 -59.98 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.192 1.397 . . . . 74.34 108.953 -173.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -84.06 36.25 0.58 Allowed 'Trans proline' 0 C--N 1.393 2.874 0 C-N-CA 122.201 1.934 . . . . 72.14 112.618 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.65 -28.85 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.671 0.788 . . . . 74.11 109.603 171.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -87.78 104.13 16.28 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 106.432 -1.692 . . . . 75.25 106.432 156.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -71.53 -179.3 2.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.379 -0.826 . . . . 75.31 111.833 -169.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.8 t -54.24 135.45 44.28 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 109.225 -0.657 . . . . 75.51 109.225 172.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -45.86 -38.35 7.26 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 115.105 1.521 . . . . 64.43 115.105 -159.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.29 -52.61 21.61 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.915 0.486 . . . . 72.33 110.712 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -63.42 -42.83 98.74 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.748 0.819 . . . . 75.24 110.408 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.475 ' NE1' HD11 ' A' ' 19' ' ' ILE . 28.2 t90 -56.91 -49.11 76.59 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.885 1.274 . . . . 74.24 110.788 177.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.21 -42.67 99.01 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.476 -0.784 . . . . 74.43 110.735 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.48 99.35 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.777 0.673 . . . . 51.3 111.979 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 34.6 mmt180 -63.05 -47.84 81.27 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.71 0.404 . . . . 65.31 110.35 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.533 HG23 HD13 ' A' ' 153' ' ' LEU . 57.4 mt -65.31 -37.73 80.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 116.388 -0.369 . . . . 75.44 110.492 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . . . -60.6 -44.17 96.56 Favored 'General case' 0 C--O 1.251 1.169 0 C-N-CA 123.032 0.533 . . . . 75.33 110.314 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.29 93.61 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.92 -1.037 . . . . 73.1 110.445 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -68.78 -32.48 72.24 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.871 -0.604 . . . . 52.54 111.498 175.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.621 ' HE ' ' HA ' ' A' ' 20' ' ' ALA . 71.7 mtm180 -65.47 -51.47 59.88 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 107.668 -1.234 . . . . 72.41 107.668 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.55 -51.83 65.75 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.382 1.051 . . . . 65.22 111.301 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.53 -53.59 27.16 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 124.013 0.821 . . . . 51.02 112.046 -174.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HE3' ' CE1' ' A' ' 155' ' ' TYR . 29.3 mmmt -71.74 -20.28 61.91 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.649 0.379 . . . . 70.5 111.346 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.0 -38.39 27.58 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.156 0.582 . . . . 51.12 111.058 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -84.25 -16.66 42.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 122.249 -0.282 . . . . 64.35 111.104 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -47.5 -53.6 13.87 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.574 1.55 . . . . 73.41 112.107 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.64 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.91 -8.88 52.36 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.4 -0.818 . . . . 75.02 113.182 -174.128 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.51 -51.03 3.42 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.202 0.601 . . . . 61.01 110.295 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -81.46 -58.49 3.01 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.433 0.693 . . . . 54.24 110.848 -170.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -52.93 106.36 0.16 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.491 1.117 . . . . 62.14 110.915 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -76.69 -8.56 57.5 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.428 0.691 . . . . 72.22 111.682 -173.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -11.83 58.64 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.107 0.563 . . . . 72.34 109.821 172.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -142.35 59.09 8.38 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.247 0.619 . . . . 42.33 109.459 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -84.11 166.27 12.83 Favored 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.561 2.174 . . . . 73.4 113.376 -172.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -118.59 136.77 24.27 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 124.13 0.972 . . . . 72.14 108.661 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.2 135.21 59.21 Favored 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.057 2.505 . . . . 75.4 112.649 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.565 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 11.9 Cg_endo -52.73 -19.37 10.56 Favored 'Trans proline' 0 C--N 1.387 2.596 0 C-N-CA 124.063 3.175 . . . . 72.42 114.576 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.33 57.69 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.64 0.376 . . . . 63.42 111.323 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.43 -37.08 52.46 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.067 0.547 . . . . 74.41 110.002 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.565 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 75.3 ttt180 -68.23 -14.5 63.03 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.11 -0.95 . . . . 73.4 111.594 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.52 -36.43 92.57 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 111.51 -0.636 . . . . 65.32 111.51 171.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.82 2.19 31.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.842 0.857 . . . . 72.14 113.214 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -81.15 112.79 18.83 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 109.255 -0.646 . . . . 65.32 109.255 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -138.52 24.7 2.66 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.388 -1.338 . . . . 72.21 107.388 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.95 115.66 2.6 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 114.438 -1.256 . . . . 53.0 110.245 -165.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.428 HD22 ' H ' ' A' ' 49' ' ' LEU . 2.0 mm? -73.48 176.93 5.64 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 117.561 0.68 . . . . 73.15 109.731 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -70.83 112.88 7.37 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.197 0.522 . . . . 63.44 109.863 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -128.25 118.89 24.09 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.125 -1.435 . . . . 71.03 107.125 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -83.03 175.15 10.25 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.249 1.019 . . . . 74.34 109.761 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -78.04 169.97 17.38 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.575 -0.898 . . . . 70.31 108.575 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 mp -73.38 116.07 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 N-CA-C 109.523 -0.547 . . . . 62.11 109.523 -173.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -90.6 105.34 17.75 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.089 0.956 . . . . 75.24 110.339 -172.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.65 -17.1 58.06 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.19 0.596 . . . . 70.51 112.577 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.2 t -67.32 -47.46 70.47 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.562 0.745 . . . . 62.54 111.552 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -94.59 34.69 1.29 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.219 1.008 . . . . 73.25 112.598 -175.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.425 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 31.6 ptt180 -104.17 102.96 12.68 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.935 -1.135 . . . . 74.15 107.935 162.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.4 m -100.53 161.0 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.184 -0.673 . . . . 73.53 109.184 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.36 113.33 26.74 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.373 -0.973 . . . . 71.11 108.373 175.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.438 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -104.23 131.36 51.63 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.349 0.66 . . . . 61.21 109.909 -173.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -74.18 118.23 16.9 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 123.504 0.721 . . . . 74.32 109.14 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -84.34 123.34 30.08 Favored 'General case' 0 C--O 1.253 1.284 0 C-N-CA 124.65 1.18 . . . . 71.21 110.262 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -128.3 105.07 19.71 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.06 0.944 . . . . 74.31 108.601 170.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 52.6 Cg_endo -66.42 150.04 84.47 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.458 2.105 . . . . 43.31 111.074 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.91 122.42 17.32 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.641 0.376 . . . . 63.35 110.642 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -54.41 -39.85 67.69 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.288 1.035 . . . . 75.12 111.462 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -128.52 94.17 36.08 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 123.353 0.661 . . . . 73.01 110.038 172.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.41 120.73 7.99 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.125 1.883 . . . . 73.22 111.188 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.467 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 10.9 pt-20 -139.16 156.23 47.28 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.252 0.621 . . . . 74.24 110.828 -176.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.56 121.45 25.26 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 123.57 0.544 . . . . 71.25 110.492 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.2 m -118.81 155.2 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.154 1.381 . . . . 62.23 108.563 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.86 129.35 46.72 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.402 0.62 . . . . 75.22 109.663 176.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.486 HD23 ' HD2' ' A' ' 85' ' ' TYR . 2.7 mm? -108.48 133.93 51.96 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 106.037 -1.838 . . . . 71.51 106.037 170.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.571 ' HB2' ' HB2' ' A' ' 169' ' ' LEU . 42.0 mt-10 -65.5 162.93 16.96 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 117.939 0.336 . . . . 62.45 110.455 -176.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.4 p -135.03 159.2 42.26 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.09 -0.707 . . . . 73.25 109.09 173.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.9 p -85.97 -22.91 27.11 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.124 -0.944 . . . . 71.33 110.863 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.483 ' HD3' ' HB3' ' A' ' 166' ' ' SER . 35.1 ptt85 -84.84 -25.42 28.09 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.438 0.903 . . . . 75.02 113.438 -175.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.84 -118.19 0.88 Allowed Glycine 0 N--CA 1.475 1.299 0 CA-C-O 118.667 -1.074 . . . . 31.24 112.475 -171.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -57.39 135.55 70.71 Favored 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 123.507 2.805 . . . . 55.24 112.601 -174.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.75 147.06 74.72 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.898 2.399 . . . . 61.13 112.639 -174.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.55 109.66 17.58 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.885 0.874 . . . . 74.21 109.103 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.12 127.53 41.25 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.783 0.433 . . . . 73.23 110.446 -176.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.571 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.7 m-85 -138.2 155.56 48.55 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.375 0.67 . . . . 73.1 109.226 -174.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 74.1 m -87.51 152.3 22.32 Favored 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 109.52 -0.548 . . . . 74.21 109.52 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.467 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 26.0 mtm180 -77.38 109.51 11.36 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.995 0.816 . . . . 74.15 109.786 174.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -88.83 -54.24 4.23 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.099 0.476 . . . . 63.24 111.06 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -156.0 172.48 18.32 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.352 -0.84 . . . . 64.34 110.91 -171.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 36.5 t -136.08 120.37 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 N-CA-C 106.955 -1.498 . . . . 60.02 106.955 173.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.438 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.2 mm? -101.39 120.32 40.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.597 1.159 . . . . 73.3 110.873 -176.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.77 129.71 9.97 Favored Glycine 0 C--N 1.347 1.151 0 N-CA-C 110.777 -0.929 . . . . 42.42 110.777 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -152.19 -173.03 4.41 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 117.793 0.796 . . . . 73.44 108.993 -175.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.538 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 6.7 p-10 -129.07 139.9 51.82 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 122.516 0.326 . . . . 71.02 110.643 173.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.6 mt -146.89 139.89 25.27 Favored 'General case' 0 C--O 1.257 1.471 0 C-N-CA 124.594 1.158 . . . . 71.2 109.75 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.6 -109.27 2.25 Favored Glycine 0 C--N 1.347 1.191 0 O-C-N 124.045 0.841 . . . . 44.35 114.231 167.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.06 -31.09 62.71 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.615 1.166 . . . . 71.02 113.17 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.2 m -159.92 -179.41 7.79 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 114.504 1.298 . . . . 71.4 114.504 -166.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 56.4 p-80 -84.48 119.72 25.48 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.201 -1.363 . . . . 70.21 108.595 171.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -127.55 163.12 24.87 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.801 0.84 . . . . 73.22 110.0 -171.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.0 m -135.81 141.8 44.77 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.141 -0.481 . . . . 74.55 111.169 -168.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.8 mt -123.19 141.35 52.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.635 0.774 . . . . 65.31 109.822 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.7 m -92.27 130.1 38.05 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.825 -0.435 . . . . 55.03 109.825 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.466 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -102.59 130.45 49.47 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.272 1.029 . . . . 73.34 109.666 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.571 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 55.1 m-85 -105.47 154.5 20.26 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 112.367 0.506 . . . . 71.22 112.367 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.582 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 55.9 ttm-85 -106.54 130.86 54.24 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.113 0.965 . . . . 63.22 108.783 -178.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.578 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 70.5 t -109.82 128.58 65.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.117 -0.947 . . . . 61.22 108.69 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.44 131.62 50.66 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.811 0.844 . . . . 73.3 110.389 172.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.06 -23.82 8.88 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.919 -0.378 . . . . 60.53 113.068 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.578 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 12.1 tp10 -105.07 130.83 53.17 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.552 0.741 . . . . 73.11 110.186 -176.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.7 t -81.52 -18.84 43.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.147 0.979 . . . . 61.34 111.746 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.3 m -95.38 138.56 32.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.054 0.542 . . . . 72.41 110.859 -176.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 138' ' ' PRO . 22.8 mt -81.9 130.16 34.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.533 1.133 . . . . 64.24 110.594 -176.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -88.06 112.67 22.89 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.073 -0.714 . . . . 74.15 109.073 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 104' ' ' ALA . 40.3 t -114.43 98.56 49.28 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.286 1.035 . . . . 65.13 109.024 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -80.04 130.59 8.46 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 122.254 1.97 . . . . 75.41 109.615 165.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -153.02 156.2 38.34 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.23 0.538 . . . . 75.14 112.017 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.6 p -113.55 155.33 25.59 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.898 -1.046 . . . . 44.45 108.634 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -137.07 -168.12 2.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.889 0.876 . . . . 72.53 109.152 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.06 -26.26 48.16 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.208 0.458 . . . . 63.41 111.079 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -25.74 68.0 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 123.955 0.902 . . . . 65.33 111.744 -175.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.453 HG22 ' HD1' ' A' ' 128' ' ' TYR . 69.8 p -66.53 -36.64 83.19 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.898 0.879 . . . . 73.13 112.191 176.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.88 -17.87 64.05 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.367 -0.833 . . . . 62.51 111.877 -174.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -74.08 -21.37 59.94 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.332 0.653 . . . . 64.43 111.545 173.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.24 -15.52 11.61 Favored Glycine 0 C--N 1.352 1.454 0 N-CA-C 115.134 0.814 . . . . 64.41 115.134 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -71.59 -53.9 12.22 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 117.523 0.661 . . . . 75.1 110.112 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.7 p -94.49 133.98 37.52 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 118.403 -0.808 . . . . 61.23 109.293 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.453 ' HD1' HG22 ' A' ' 122' ' ' THR . 7.3 p90 24.7 68.09 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 126.153 1.781 . . . . 71.21 114.721 165.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.06 -10.29 4.12 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 114.528 1.307 . . . . 55.22 114.528 -168.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -107.78 10.55 28.73 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.684 0.794 . . . . 72.43 112.343 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.441 ' HA2' HG21 ' A' ' 122' ' ' THR . . . 107.41 174.67 22.5 Favored Glycine 0 C--N 1.343 0.967 0 N-CA-C 111.476 -0.65 . . . . 70.42 111.476 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -119.86 153.53 35.68 Favored 'General case' 0 C--O 1.256 1.403 0 C-N-CA 124.113 0.965 . . . . 70.44 108.478 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.584 ' HD2' ' HD2' ' A' ' 155' ' ' TYR . 0.0 OUTLIER -100.55 165.13 11.57 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.236 -1.024 . . . . 75.42 108.236 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.478 HD22 HG22 ' A' ' 136' ' ' VAL . 0.8 OUTLIER -149.01 145.27 27.22 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 107.27 -1.382 . . . . 74.53 107.27 170.259 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -121.38 101.27 7.52 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 107.463 -1.31 . . . . 71.44 107.463 171.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.478 HG22 HD22 ' A' ' 134' ' ' LEU . 46.6 t -95.25 139.91 17.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 115.142 -0.936 . . . . 65.44 109.113 -171.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -85.81 117.59 69.01 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 108.03 -1.1 . . . . 63.23 108.03 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.416 ' HB3' HD11 ' A' ' 113' ' ' LEU . 35.4 Cg_endo -65.41 -24.41 57.18 Favored 'Trans proline' 0 C--N 1.382 2.317 0 C-N-CA 122.535 2.157 . . . . 52.04 112.376 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 62.91 19.62 11.68 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.739 1.275 . . . . 44.15 111.771 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.96 37.68 53.88 Favored Glycine 0 C--N 1.358 1.765 0 CA-C-N 116.145 -0.48 . . . . 65.0 113.815 -166.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.56 161.96 27.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.435 0.694 . . . . 74.24 110.1 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -136.3 -173.35 3.38 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.094 0.558 . . . . 74.4 110.69 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.38 108.66 2.04 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-N 115.012 -0.995 . . . . 64.03 113.126 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.8 -9.16 34.42 Favored Glycine 0 C--N 1.336 0.574 0 CA-C-O 119.506 -0.608 . . . . 64.3 113.463 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.455 ' HB3' ' HG2' ' A' ' 5' ' ' PRO . 26.5 m-20 -80.92 -179.63 7.41 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.544 -0.91 . . . . 75.24 108.544 169.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -138.9 155.34 48.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.69 0.757 . . . . 72.34 111.308 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.04 146.08 28.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 N-CA-C 107.294 -1.372 . . . . 73.52 107.294 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.89 122.1 25.02 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.905 -0.406 . . . . 74.21 109.905 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.4 mt -92.48 85.07 5.22 Favored 'General case' 0 C--O 1.249 1.054 0 N-CA-C 107.821 -1.177 . . . . 73.24 107.821 169.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.492 ' HB2' HD23 ' A' ' 153' ' ' LEU . 2.9 m-20 -79.71 100.85 8.09 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 114.23 -1.35 . . . . 54.44 107.479 170.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -69.4 -14.73 63.06 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.203 0.601 . . . . 75.4 110.766 178.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.401 HD21 ' HZ2' ' A' ' 15' ' ' TRP . 39.8 p30 -70.24 -23.82 62.97 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.471 0.708 . . . . 72.51 112.236 175.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.533 HD13 HG23 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -75.72 -20.92 58.0 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 118.878 -0.582 . . . . 60.44 111.414 176.08 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -40.49 139.25 0.81 Allowed 'General case' 0 N--CA 1.482 1.157 0 O-C-N 125.153 1.533 . . . . 74.21 114.064 -164.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.584 ' HD2' ' HD2' ' A' ' 133' ' ' TYR . 54.0 t80 -96.12 165.18 12.36 Favored 'General case' 0 C--O 1.262 1.712 0 CA-C-N 115.16 -0.927 . . . . 74.31 109.802 -168.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -94.56 122.2 61.46 Favored Pre-proline 0 N--CA 1.446 -0.653 0 CA-C-N 114.055 -1.43 . . . . 74.54 112.037 -160.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . 0.45 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 6.7 Cg_exo -76.3 125.6 8.57 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.561 2.174 . . . . 64.21 108.136 162.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 69.5 m-85 -74.38 -4.59 37.37 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.849 0.685 . . . . 71.51 112.849 -172.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 66.1 m -64.78 -25.52 67.96 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.818 0.847 . . . . 54.31 111.392 170.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -80.91 9.69 6.09 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.981 0.913 . . . . 31.13 112.02 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 37.3 m-85 -115.16 -8.87 12.36 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.316 1.047 . . . . 71.32 108.999 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.56 -87.64 0.82 Allowed Glycine 0 C--N 1.351 1.396 0 CA-C-N 115.877 -0.601 . . . . 45.43 113.26 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -94.95 22.76 36.45 Favored Glycine 0 N--CA 1.476 1.349 0 N-CA-C 114.561 0.584 . . . . 65.44 114.561 -165.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 16.5 p -140.04 68.9 1.35 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.367 -1.346 . . . . 74.02 107.367 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -88.83 78.47 7.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.852 0.834 . . . . 74.23 110.879 -162.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.483 ' HB3' ' HD3' ' A' ' 79' ' ' ARG . 16.2 p -119.37 100.77 7.51 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.705 0.802 . . . . 70.04 110.25 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 157' ' ' PRO . 43.8 t -130.28 133.61 46.62 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.518 0.727 . . . . 32.02 110.074 174.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -80.56 99.68 8.21 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 108.903 -0.777 . . . . 23.41 108.903 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.571 ' HB2' ' HB2' ' A' ' 76' ' ' GLU . 62.0 mt -68.13 121.69 81.12 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.363 1.065 . . . . 75.53 110.378 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.518 ' HB2' ' HB2' ' A' ' 174' ' ' ASN . 68.5 Cg_endo -82.33 166.13 16.24 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 123.09 2.526 . . . . 70.52 112.868 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.98 169.57 21.87 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.283 1.989 . . . . 73.13 111.767 169.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.15 -21.12 64.8 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.361 0.664 . . . . 72.13 112.194 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.04 -22.78 63.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.003 0.921 . . . . 73.23 111.056 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.518 ' HB2' ' HB2' ' A' ' 170' ' ' PRO . 3.9 m-20 -104.37 35.78 2.6 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.066 0.947 . . . . 74.45 109.833 176.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -109.44 124.23 50.68 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 109.042 -0.725 . . . . 74.34 109.042 170.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 41.8 t -97.49 120.26 61.11 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 108.613 -0.884 . . . . 73.41 108.613 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -73.62 50.05 1.94 Allowed 'Trans proline' 0 C--N 1.37 1.664 0 C-N-CA 123.792 2.995 . . . . 62.24 112.944 171.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -145.83 152.48 39.58 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.166 0.986 . . . . 74.12 108.555 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -93.44 113.07 25.13 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.762 0.425 . . . . 75.3 110.094 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.3 mp -96.87 98.27 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 108.274 -1.01 . . . . 65.04 108.274 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 26.9 p -97.31 58.39 1.5 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.488 1.137 . . . . 64.23 109.714 174.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.841 0 CA-C-N 113.65 -1.613 . . . . 62.21 107.454 176.789 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.3 tt . . . . . 0 CA--C 1.575 1.937 0 N-CA-C 110.048 -0.353 . . . . 65.13 110.048 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.91 126.75 10.23 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.578 2.185 . . . . 64.33 111.446 -174.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -166.68 -55.05 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 124.378 1.071 . . . . 72.05 109.941 -170.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -84.82 26.18 0.66 Allowed 'Trans proline' 0 C--N 1.399 3.218 0 C-N-CA 122.343 2.028 . . . . 73.13 111.863 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.18 -26.32 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.418 1.487 . . . . 63.01 110.914 177.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -86.3 33.29 0.62 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.167 1.387 . . . . 71.14 110.673 173.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 40.94 -153.38 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.935 1.294 . . . . 63.53 113.83 -174.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -103.33 152.75 21.19 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 106.06 -1.83 . . . . 75.51 106.06 166.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -43.3 -45.44 5.92 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 114.901 1.445 . . . . 63.44 114.901 -168.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.84 -48.37 71.86 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.853 0.461 . . . . 64.34 111.86 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.26 -34.79 78.16 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.69 0.796 . . . . 44.53 111.744 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.487 ' O ' HG13 ' A' ' 19' ' ' ILE . 41.8 t90 -67.0 -44.97 78.99 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.772 1.229 . . . . 74.43 109.367 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -60.56 -39.64 88.72 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.847 -1.069 . . . . 75.34 110.546 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.02 -37.5 86.04 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.57 0.748 . . . . 74.52 112.093 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 2.7 mmp_? -61.42 -45.31 94.84 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.769 0.428 . . . . 55.41 110.752 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.538 HG21 HD12 ' A' ' 54' ' ' ILE . 58.0 mt -64.54 -48.1 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 123.965 0.791 . . . . 74.14 110.59 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.42 90.31 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.475 0.71 . . . . 71.21 111.433 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -46.81 74.37 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.631 0.772 . . . . 73.15 111.38 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -65.87 -35.63 81.19 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.006 0.922 . . . . 71.24 111.029 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -72.05 -44.04 63.98 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.466 1.106 . . . . 64.23 109.178 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.89 94.63 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.76 0.663 . . . . 63.55 110.584 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.78 -56.44 21.76 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 124.347 1.029 . . . . 65.42 110.414 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -66.06 -15.97 63.52 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.607 0.763 . . . . 73.02 112.711 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.3 -52.65 6.37 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.11 0.564 . . . . 34.4 110.783 175.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.87 -18.11 41.42 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 112.997 0.74 . . . . 74.3 112.997 -173.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.53 -52.19 66.41 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.07 0.548 . . . . 75.14 111.587 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.3 -9.15 58.42 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.167 -0.47 . . . . 73.22 112.03 -174.707 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.7 -49.55 6.79 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.428 0.691 . . . . 75.04 111.02 175.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.4 p -94.73 -57.28 2.51 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.845 0.858 . . . . 74.21 112.134 -171.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -64.79 127.49 31.76 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.622 0.769 . . . . 71.13 112.167 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -79.68 -6.87 58.06 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.846 1.259 . . . . 72.45 111.334 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.24 -5.2 34.22 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.848 0.859 . . . . 63.12 112.245 170.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.509 ' HA ' ' HZ ' ' A' ' 165' ' ' PHE . 43.5 t -156.95 80.72 3.46 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 107.925 -1.139 . . . . 73.13 107.925 172.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.03 126.35 5.02 Favored 'Trans proline' 0 C--N 1.366 1.5 0 C-N-CA 121.794 1.662 . . . . 73.22 112.017 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.55 HD11 HD23 ' A' ' 30' ' ' LEU . 44.0 mt -68.9 135.36 89.81 Favored Pre-proline 0 CA--C 1.559 1.301 0 N-CA-C 108.454 -0.943 . . . . 65.51 108.454 170.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -46.39 131.42 15.09 Favored 'Trans proline' 0 C--N 1.385 2.47 0 C-N-CA 123.632 2.888 . . . . 62.52 112.52 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -53.38 -30.41 52.64 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 124.822 3.681 . . . . 73.03 116.38 -162.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.52 -41.56 65.76 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.042 0.448 . . . . 53.55 110.899 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.49 -38.19 62.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.189 0.996 . . . . 64.51 109.13 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -71.96 -22.93 61.38 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.899 -1.046 . . . . 73.45 110.646 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.73 -39.81 90.12 Favored Glycine 0 C--N 1.346 1.114 0 N-CA-C 111.625 -0.59 . . . . 72.22 111.625 172.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.19 11.64 13.58 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.992 0.917 . . . . 74.25 113.043 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -80.33 131.35 35.62 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.962 0.41 . . . . 74.42 110.805 -173.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -127.32 -39.0 1.91 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.54 1.136 . . . . 74.14 108.932 166.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.22 146.34 4.64 Favored Glycine 0 C--N 1.343 0.947 0 CA-C-O 119.347 -0.696 . . . . 53.13 111.536 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 30' ' ' LEU . 2.4 mm? -70.79 146.23 49.88 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.99 0.516 . . . . 74.01 110.236 -175.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -72.48 115.87 12.26 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.042 -0.725 . . . . 74.0 109.042 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -91.47 138.9 31.21 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.511 -0.768 . . . . 65.32 109.848 -172.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -86.25 158.36 19.73 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.016 0.926 . . . . 72.2 109.742 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.81 162.83 28.48 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.377 0.671 . . . . 75.41 110.841 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.538 HD12 HG21 ' A' ' 19' ' ' ILE . 23.3 mm -86.38 113.39 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.88 -0.785 . . . . 75.31 108.88 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -93.18 95.05 9.15 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 123.692 0.797 . . . . 65.24 109.561 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.87 -9.96 59.65 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.136 -0.938 . . . . 52.43 111.009 173.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.8 m -66.69 -51.73 52.79 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.741 0.816 . . . . 73.34 111.17 172.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.406 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 77.9 m-85 -92.72 31.46 1.37 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.918 0.887 . . . . 73.51 113.276 -171.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 6.2 ptm180 -99.92 100.2 11.08 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.483 0.659 . . . . 74.44 109.308 173.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.4 m -101.46 173.47 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 121.739 -0.601 . . . . 53.33 110.003 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.94 120.93 36.9 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.026 -1.101 . . . . 65.02 108.026 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.59 141.23 38.2 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.629 0.772 . . . . 44.12 109.624 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -74.25 113.08 11.04 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.119 -0.697 . . . . 63.33 109.119 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -74.15 119.92 19.02 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 123.591 0.756 . . . . 72.24 109.653 -177.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -117.0 114.52 39.07 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 107.087 -1.449 . . . . 51.01 107.087 169.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -70.03 157.29 60.36 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 122.021 1.814 . . . . 74.3 110.811 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.04 110.38 2.13 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.118 -0.697 . . . . 75.03 109.118 170.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -51.28 -36.35 41.87 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.493 1.117 . . . . 74.53 111.436 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -156.69 104.62 1.97 Allowed Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 107.906 -1.146 . . . . 65.44 107.906 169.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.33 141.59 93.18 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 123.396 2.731 . . . . 64.24 114.099 -174.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -136.0 161.8 34.65 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.966 1.307 . . . . 75.32 110.074 176.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.47 135.86 37.77 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.634 0.774 . . . . 72.34 110.279 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.1 m -129.12 150.91 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.746 0.818 . . . . 41.34 109.242 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -102.6 109.6 21.27 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.84 -0.8 . . . . 73.22 108.84 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 85' ' ' TYR . 2.4 mm? -93.81 122.22 36.06 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 107.344 -1.354 . . . . 62.44 107.344 177.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.458 ' HA ' ' HB3' ' A' ' 82' ' ' PRO . 36.5 mt-10 -66.28 147.94 52.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.87 0.468 . . . . 73.44 109.8 -176.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.448 ' HB ' ' HB2' ' A' ' 166' ' ' SER . 52.7 p -121.45 156.2 33.24 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.113 0.482 . . . . 74.23 110.711 -174.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.8 p -77.25 -39.11 49.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.644 1.178 . . . . 61.25 111.139 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -83.29 -16.91 44.42 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.17 0.988 . . . . 74.2 112.207 -170.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.3 -125.7 1.35 Allowed Glycine 0 C--N 1.359 1.808 0 CA-C-O 118.904 -0.942 . . . . 72.01 113.963 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.39 146.11 44.3 Favored 'Trans proline' 0 C--N 1.382 2.338 0 C-N-CA 123.705 2.937 . . . . 74.52 113.193 -175.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.458 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . 28.8 Cg_endo -61.0 160.68 24.89 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 123.044 2.496 . . . . 74.54 113.208 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.68 131.02 55.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.165 0.986 . . . . 71.43 110.265 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -82.3 124.22 29.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.434 0.694 . . . . 54.02 109.533 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.562 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 46.2 m-85 -127.28 140.68 52.05 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.705 -1.22 . . . . 64.22 107.705 175.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.3 m -91.9 135.56 33.84 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 108.844 -0.798 . . . . 75.14 108.844 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -72.95 112.09 8.66 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.537 -0.542 . . . . 71.31 109.537 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.532 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.96 -44.34 15.42 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 123.934 0.893 . . . . 72.23 110.737 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -161.48 175.96 11.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 114.79 -1.095 . . . . 73.11 110.439 -174.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 36.4 t -136.64 129.22 45.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 125.542 1.537 . . . . 74.05 107.197 170.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 101' ' ' THR . 2.4 mm? -99.61 121.56 41.38 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.813 0.845 . . . . 55.14 109.662 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.21 124.09 7.16 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 111.303 -0.719 . . . . 42.41 111.303 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.403 ' HE2' HD12 ' A' ' 95' ' ' LEU . 47.6 p90 -152.15 175.0 13.04 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 117.257 0.528 . . . . 71.14 109.753 -174.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -110.31 152.89 25.63 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 107.99 -1.115 . . . . 74.02 107.99 171.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.481 HD13 HG11 ' A' ' 176' ' ' VAL . 1.6 tt -160.21 130.35 5.37 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 106.789 -1.56 . . . . 74.33 106.789 -175.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.99 -103.63 1.5 Allowed Glycine 0 C--N 1.347 1.167 0 N-CA-C 109.725 -1.35 . . . . 73.22 109.725 -173.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -136.62 16.75 3.12 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.902 0.881 . . . . 71.2 109.283 169.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.6 m -128.8 147.09 50.77 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.131 0.572 . . . . 33.31 111.405 -170.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -86.04 136.68 33.14 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.451 -0.795 . . . . 74.12 109.369 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -140.59 149.49 42.43 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 121.521 0.677 . . . . 70.41 110.13 173.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.87 125.16 46.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 113.892 -1.504 . . . . 73.24 107.954 175.746 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 66.1 mt -109.39 132.96 53.64 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.52 -0.918 . . . . 53.21 108.52 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.5 m -85.59 129.78 34.74 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 109.725 -0.472 . . . . 71.43 109.725 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.08 124.94 44.45 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.985 1.314 . . . . 24.25 108.802 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.562 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 55.6 m-85 -102.22 168.56 9.28 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.925 0.89 . . . . 75.41 111.326 -176.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.532 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 49.7 ttm-85 -120.48 113.79 20.83 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.882 1.273 . . . . 73.15 107.692 -170.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 60.4 t -92.46 154.51 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.722 1.209 . . . . 75.41 109.324 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.98 101.65 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 121.752 0.787 . . . . 74.34 111.3 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 70.57 29.83 69.36 Favored Glycine 0 CA--C 1.538 1.501 0 CA-C-N 115.005 -0.998 . . . . 34.21 113.706 174.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.552 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -67.28 172.93 4.28 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.862 0.865 . . . . 72.4 112.233 -172.745 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.3 m -118.36 -36.35 3.56 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.706 0.802 . . . . 65.12 109.2 167.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.1 m -111.85 142.91 43.63 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.09 -0.959 . . . . 52.42 110.075 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.11 148.29 28.61 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.46 1.104 . . . . 53.32 109.34 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -100.29 114.69 28.36 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.796 0.838 . . . . 72.34 109.842 -172.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 88.1 t -110.23 94.8 19.35 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 109.211 -0.662 . . . . 65.25 109.211 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -84.96 111.58 1.41 Allowed 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.24 1.96 . . . . 73.45 109.547 170.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.543 ' HA ' ' HB3' ' A' ' 174' ' ' ASN . 16.7 p90 -129.65 176.15 8.23 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.188 0.995 . . . . 72.33 109.281 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.526 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.2 p -135.73 161.78 34.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.181 0.593 . . . . 75.21 109.992 175.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.12 -178.77 4.78 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.251 -1.341 . . . . 73.25 109.536 -169.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.74 -33.72 66.58 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 119.231 -0.414 . . . . 70.01 110.772 165.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 54.1 p -60.73 -46.11 91.66 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.166 0.986 . . . . 72.12 111.141 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.571 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 66.7 p -64.31 -45.18 89.06 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.786 -1.097 . . . . 72.32 110.15 177.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.2 -30.2 70.61 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.229 1.012 . . . . 70.2 112.058 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -78.07 -1.52 32.76 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.926 0.89 . . . . 54.4 111.748 174.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.6 73.44 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 123.429 0.538 . . . . 44.44 114.203 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -84.88 -29.12 25.49 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 121.525 0.678 . . . . 70.4 110.315 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.9 p -130.87 173.55 10.85 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 125.633 1.573 . . . . 53.45 109.403 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.465 ' HB3' ' ND2' ' A' ' 156' ' ' ASN . 26.1 t80 -64.28 104.32 0.74 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.006 0.523 . . . . 73.34 112.042 -166.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.571 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 15.5 pt-20 -63.94 -27.87 69.44 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.467 1.107 . . . . 74.45 113.343 -169.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -82.19 -5.95 58.85 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.476 0.711 . . . . 54.11 112.698 -172.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.63 150.36 5.22 Favored Glycine 0 C--N 1.352 1.448 0 C-N-CA 121.75 -0.262 . . . . 64.35 113.346 173.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 117' ' ' PHE . 4.5 ptm180 -128.87 138.81 52.24 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.42 -1.326 . . . . 75.21 107.42 172.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.09 155.36 17.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.7 0.8 . . . . 64.01 110.729 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.05 131.82 39.28 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 107.408 -1.33 . . . . 73.33 107.408 168.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -92.77 112.81 24.89 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 108.012 -1.107 . . . . 75.45 108.012 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.0 t -116.36 112.76 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.052 -0.722 . . . . 74.25 109.052 -173.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -85.02 125.28 70.91 Favored Pre-proline 0 CA--C 1.543 0.678 0 N-CA-C 108.4 -0.963 . . . . 60.21 108.4 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -60.33 -33.55 94.33 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.941 2.427 . . . . 70.04 112.588 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 48.86 40.0 15.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.778 1.231 . . . . 71.32 112.818 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.93 37.55 53.42 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 115.107 -0.951 . . . . 63.22 114.842 -176.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -81.19 156.52 25.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.994 0.517 . . . . 43.33 111.244 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -121.82 175.45 6.27 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.758 1.223 . . . . 73.24 109.587 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -55.13 112.58 3.0 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 124.263 0.977 . . . . 64.01 113.73 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.03 0.59 58.62 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-O 119.504 -0.609 . . . . 64.43 114.108 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -79.55 -175.67 4.9 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 108.132 -1.062 . . . . 71.14 108.132 164.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -139.74 155.86 47.1 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.926 0.87 . . . . 73.42 111.955 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.8 m -132.16 162.42 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 125.684 1.594 . . . . 75.45 107.71 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.55 121.35 28.96 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 122.586 0.355 . . . . 70.04 110.359 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.3 mt -102.97 83.73 2.27 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 107.971 -1.122 . . . . 64.14 107.971 168.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.543 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 7.5 m-20 -79.42 99.1 7.04 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.487 -1.301 . . . . 73.35 107.487 174.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.406 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 25.6 m-85 -66.06 -16.8 64.24 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 123.683 0.793 . . . . 74.31 112.736 -176.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -56.01 -31.45 63.09 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.791 0.837 . . . . 73.41 110.989 170.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' A' ' 150' ' ' ASP . 3.5 mm? -92.16 19.9 6.46 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.377 1.071 . . . . 55.42 111.628 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.85 107.36 1.8 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 109.156 -0.683 . . . . 61.0 109.156 165.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -105.74 132.11 52.26 Favored 'General case' 0 C--O 1.212 -0.906 0 N-CA-C 108.206 -1.035 . . . . 71.44 108.206 -178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 128' ' ' TYR . 13.4 m120 -97.67 146.68 31.84 Favored Pre-proline 0 N--CA 1.481 1.1 0 N-CA-C 108.249 -1.019 . . . . 75.31 108.249 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' PRO . . . . . 0.541 ' HG2' ' SG ' ' A' ' 159' ' ' CYS . 27.2 Cg_endo -59.08 168.0 5.11 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 123.135 2.557 . . . . 62.24 113.173 -176.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.427 ' CD1' HD12 ' A' ' 30' ' ' LEU . 31.9 m-85 -66.7 -7.51 21.36 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.489 0.922 . . . . 65.22 113.489 -174.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' CYS . . . . . 0.541 ' SG ' ' HG2' ' A' ' 157' ' ' PRO . 10.4 p -72.37 -29.71 64.03 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.597 0.759 . . . . 70.44 110.918 172.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.24 61.05 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.553 0.741 . . . . 60.44 110.651 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -86.42 2.28 48.27 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.412 1.085 . . . . 74.2 110.88 174.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 101.54 -7.69 56.14 Favored Glycine 0 C--N 1.355 1.63 0 N-CA-C 114.645 0.618 . . . . 44.25 114.645 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -74.81 159.58 52.23 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-N 117.646 0.723 . . . . 61.11 113.283 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 49.5 p -83.98 70.28 10.43 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.457 0.646 . . . . 73.14 110.788 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.509 ' HZ ' ' HA ' ' A' ' 36' ' ' SER . 83.0 m-85 -123.47 164.48 18.84 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.468 0.707 . . . . 74.1 112.192 -175.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.448 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 32.7 p -99.91 130.39 46.09 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.515 -1.22 . . . . 74.51 110.586 -175.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 77' ' ' THR . 50.9 t -97.06 131.78 43.51 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.211 -0.663 . . . . 74.22 109.211 173.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.29 101.34 4.66 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.253 -1.017 . . . . 75.35 108.253 170.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.33 134.07 93.21 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 123.509 0.724 . . . . 70.1 110.119 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.526 ' HG3' HG23 ' A' ' 118' ' ' THR . 58.0 Cg_endo -68.23 145.06 65.01 Favored 'Trans proline' 0 C--N 1.369 1.637 0 C-N-CA 122.865 2.377 . . . . 73.42 113.066 -171.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -52.55 151.19 19.31 Favored 'Trans proline' 0 C--N 1.372 1.788 0 C-N-CA 122.95 2.434 . . . . 74.32 112.04 163.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -41.02 -45.24 2.58 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.313 1.227 . . . . 72.44 114.313 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -86.5 0.59 53.93 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.591 0.756 . . . . 75.55 111.915 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.543 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . 3.0 m-20 -92.62 -8.31 44.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.089 -0.505 . . . . 63.3 110.698 174.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -80.68 103.02 10.25 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 108.313 -0.995 . . . . 74.41 108.313 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.481 HG11 HD13 ' A' ' 95' ' ' LEU . 47.2 t -85.45 124.37 71.65 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 123.67 0.788 . . . . 73.43 109.295 -177.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.62 50.77 3.52 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 123.92 3.08 . . . . 75.1 112.022 175.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -146.69 149.47 33.5 Favored 'General case' 0 C--O 1.247 0.966 0 C-N-CA 123.592 0.757 . . . . 64.33 109.71 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -96.97 100.35 11.86 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.291 -0.868 . . . . 74.33 110.241 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.5 mp -102.53 91.14 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 106.093 -1.818 . . . . 64.45 106.093 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 12.5 p -80.99 73.13 8.04 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.368 -0.833 . . . . 74.1 108.93 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.709 0 C-N-CA 124.947 1.299 . . . . 72.21 108.159 177.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.7 mtp . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 109.8 -0.445 . . . . 73.22 109.8 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.413 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 36.6 t -118.81 -53.62 0.04 OUTLIER Pre-proline 0 CA--C 1.56 1.335 0 CA-C-O 118.505 -0.76 . . . . 42.23 110.381 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 2' ' ' SER . 88.7 Cg_endo -88.91 148.69 5.79 Favored 'Trans proline' 0 C--N 1.39 2.716 0 C-N-CA 121.511 1.474 . . . . 73.14 110.631 164.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.9 mt -66.76 124.84 89.57 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 109.588 -0.523 . . . . 72.12 109.588 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HG2' ' HB2' ' A' ' 141' ' ' ALA . 8.1 Cg_exo -56.96 125.84 20.3 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 123.085 2.523 . . . . 75.45 111.208 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.454 ' H ' ' HD2' ' A' ' 7' ' ' PRO . 61.8 mt -164.41 -47.75 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 125.917 1.687 . . . . 72.24 108.395 -168.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.454 ' HD2' ' H ' ' A' ' 6' ' ' LEU . 89.4 Cg_endo -79.82 30.42 0.49 Allowed 'Trans proline' 0 C--N 1.397 3.124 0 C-N-CA 122.168 1.912 . . . . 74.3 112.16 168.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.49 HG21 ' H ' ' A' ' 148' ' ' ALA . 25.3 m -61.53 -29.26 45.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.354 1.061 . . . . 75.03 110.77 168.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -84.17 25.92 0.8 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 124.109 0.964 . . . . 73.42 111.526 171.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 26.7 -104.47 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.511 1.524 . . . . 54.54 112.921 -164.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 14' ' ' ALA . 7.6 t -120.38 155.54 33.21 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 105.332 -2.099 . . . . 73.03 105.332 163.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -56.28 -25.79 49.56 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 119.276 0.944 . . . . 75.02 113.187 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.64 -51.26 69.2 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.574 0.75 . . . . 72.44 109.826 172.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . . . -79.42 -18.48 52.13 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.034 -0.985 . . . . 64.1 112.325 -177.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.471 ' O ' HG13 ' A' ' 19' ' ' ILE . 25.8 t90 -75.14 -48.91 21.39 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 108.581 -0.896 . . . . 74.24 108.581 174.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -60.23 -39.45 86.72 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.598 -0.728 . . . . 70.15 110.135 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' A' ' 14' ' ' ALA . . . -64.54 -39.18 93.3 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.548 0.739 . . . . 72.33 112.181 174.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.55 -54.07 46.14 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.159 0.584 . . . . 75.04 109.491 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.551 HG12 HD11 ' A' ' 153' ' ' LEU . 64.6 mt -63.93 -46.17 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.204 1.002 . . . . 62.41 111.688 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.87 95.68 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.392 0.677 . . . . 64.33 110.761 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.16 -33.17 69.78 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.256 -0.429 . . . . 62.24 111.96 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.25 -36.69 58.36 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.218 0.607 . . . . 65.1 109.893 -175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.478 HH11 ' HB2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -78.37 -31.26 48.38 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.026 -0.533 . . . . 74.34 109.972 176.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.0 82.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.961 0.504 . . . . 42.31 110.499 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.73 -54.86 36.85 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.864 -1.062 . . . . 73.02 110.377 171.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -66.45 -15.42 63.32 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.479 0.712 . . . . 75.23 112.22 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.623 ' HA ' HD23 ' A' ' 49' ' ' LEU . 24.4 t70 -80.91 -51.37 8.64 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.179 0.592 . . . . 74.04 111.018 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -83.81 -25.86 30.04 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 113.376 0.88 . . . . 72.31 113.376 -175.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.81 -42.4 89.05 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.368 0.604 . . . . 74.22 112.059 -170.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.628 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -92.4 -13.08 30.62 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.249 0.833 . . . . 61.2 113.249 -178.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.7 -44.81 8.79 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.354 0.661 . . . . 71.45 111.331 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.0 p -99.08 -57.86 2.07 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.338 1.055 . . . . 53.34 111.024 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -70.94 141.06 51.1 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.604 0.762 . . . . 71.25 111.302 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.9 -10.94 58.58 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.243 1.017 . . . . 65.13 112.405 -171.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -65.87 -24.88 66.96 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.013 0.925 . . . . 74.23 112.444 -173.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -146.38 79.52 10.54 Favored Pre-proline 0 C--O 1.212 -0.899 0 N-CA-C 108.429 -0.952 . . . . 74.42 108.429 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.21 127.45 8.36 Favored 'Trans proline' 0 C--N 1.362 1.264 0 C-N-CA 122.078 1.852 . . . . 74.24 111.811 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.628 HG13 ' HB2' ' A' ' 30' ' ' LEU . 59.6 mt -68.93 135.0 89.75 Favored Pre-proline 0 CA--C 1.554 1.127 0 N-CA-C 107.686 -1.228 . . . . 63.54 107.686 168.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -45.79 129.93 12.26 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 123.71 2.94 . . . . 72.12 112.154 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -48.01 -30.42 13.9 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 124.312 3.341 . . . . 62.25 114.768 -168.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.47 -50.25 68.19 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.76 0.424 . . . . 72.02 111.541 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.81 -35.82 50.94 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.663 0.785 . . . . 64.24 110.364 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -63.86 -32.21 73.65 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.059 0.944 . . . . 74.44 110.982 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.74 -36.2 86.89 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 116.228 -0.442 . . . . 32.31 112.435 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.4 14.52 11.05 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.669 0.788 . . . . 74.04 112.399 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -68.0 110.18 3.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.064 0.546 . . . . 74.11 110.682 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -102.72 -33.33 9.45 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.657 0.783 . . . . 74.4 109.881 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.27 144.28 3.9 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-O 119.436 -0.647 . . . . 62.32 111.971 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' A' ' 27' ' ' ASP . 3.7 mm? -66.62 172.24 4.37 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.78 0.832 . . . . 63.11 112.688 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.456 ' HB2' ' HG3' ' A' ' 184' ' ' GLU . 0.0 OUTLIER -75.12 134.45 41.28 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.668 -1.151 . . . . 75.42 110.794 -173.304 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.478 ' HB2' HH11 ' A' ' 23' ' ' ARG . 89.9 t80 -124.31 119.64 29.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.37 -0.974 . . . . 70.03 108.37 173.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.401 ' HE1' ' HB3' ' A' ' 50' ' ' ARG . 1.4 m-85 -99.58 154.81 17.97 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 107.807 -1.183 . . . . 62.33 107.807 174.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -67.46 142.39 56.65 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.048 -0.723 . . . . 73.44 109.048 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.81 111.36 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.278 0.986 . . . . 74.3 109.569 -172.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -100.68 105.03 16.35 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 109.511 -0.551 . . . . 64.34 109.511 -166.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.26 57.85 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.036 -0.983 . . . . 71.34 111.401 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.4 t -74.18 -33.88 63.61 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.197 0.599 . . . . 64.01 110.705 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.467 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 30.2 m-85 -88.41 6.5 37.19 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.308 0.643 . . . . 74.02 111.107 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.543 ' HG3' ' HB3' ' A' ' 150' ' ' ASP . 48.0 ttp180 -98.6 93.16 5.97 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.899 -1.519 . . . . 72.14 106.899 169.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.5 m -99.3 155.06 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 108.877 -0.786 . . . . 63.51 108.877 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.14 118.89 31.74 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.137 -1.06 . . . . 73.05 108.137 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -108.41 131.31 54.9 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.621 0.768 . . . . 63.04 110.077 -172.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.01 107.34 5.31 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.49 -0.93 . . . . 64.11 108.49 -177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -76.95 126.2 30.57 Favored 'General case' 0 C--O 1.249 1.074 0 C-N-CA 123.496 0.718 . . . . 74.35 109.747 -173.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -131.48 106.8 14.46 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 108.165 -1.05 . . . . 61.53 108.165 171.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.35 151.25 65.58 Favored 'Trans proline' 0 C--N 1.366 1.453 0 C-N-CA 122.052 1.835 . . . . 75.54 110.524 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.88 97.26 1.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.375 -0.972 . . . . 53.04 108.375 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -54.48 -28.94 48.23 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.265 1.426 . . . . 65.3 111.541 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -125.52 83.91 61.0 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.509 1.124 . . . . 74.13 109.081 171.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 127.08 9.29 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.812 2.342 . . . . 74.11 111.982 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.551 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 13.4 pt-20 -136.92 157.74 46.05 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.867 0.365 . . . . 71.21 110.618 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.29 115.18 21.23 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.901 0.88 . . . . 71.52 109.937 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 15.1 m -106.41 155.58 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 108.523 -0.917 . . . . 74.42 108.523 175.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -97.93 116.71 30.69 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.502 -0.925 . . . . 74.41 108.502 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.408 HD23 ' HD1' ' A' ' 85' ' ' TYR . 2.7 mm? -101.29 134.06 44.93 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 107.348 -1.353 . . . . 61.23 107.348 171.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB2' HD12 ' A' ' 169' ' ' LEU . 38.0 mt-10 -64.72 157.88 26.21 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 109.934 -0.395 . . . . 64.0 109.934 178.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 68.0 p -139.3 150.79 45.84 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.012 -0.736 . . . . 71.4 109.012 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.438 HG23 ' SG ' ' A' ' 167' ' ' CYS . 33.9 p -77.76 -18.04 56.9 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.0 0.52 . . . . 40.32 109.845 172.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -71.9 -34.06 68.83 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.549 1.14 . . . . 55.41 112.528 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.04 -121.36 1.15 Allowed Glycine 0 C--N 1.342 0.877 0 CA-C-O 118.296 -1.28 . . . . 72.53 111.482 -175.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.09 144.25 80.64 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.037 2.491 . . . . 53.24 112.917 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -64.63 149.98 88.95 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.412 2.074 . . . . 70.44 112.526 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.65 120.98 39.01 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.864 0.866 . . . . 63.5 109.698 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 10.0 pt-20 -79.99 127.03 31.79 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.132 0.492 . . . . 64.15 110.568 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.58 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.9 m-85 -127.69 138.86 52.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.46 -0.941 . . . . 65.32 108.46 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.9 m -84.59 137.36 33.34 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.255 -0.646 . . . . 42.12 109.255 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.551 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 19.3 mtm105 -67.68 108.46 2.93 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.48 -0.933 . . . . 55.23 108.48 175.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.44 -48.16 7.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.75 0.42 . . . . 71.22 110.656 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.46 172.34 18.39 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.62 -0.718 . . . . 42.14 110.903 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.663 HG12 HG22 ' A' ' 101' ' ' THR . 23.5 t -136.49 125.81 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 125.229 1.412 . . . . 31.21 107.364 171.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.606 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 2.2 mm? -103.04 121.03 41.74 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.958 0.903 . . . . 70.45 110.989 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.62 113.8 4.84 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 111.242 -0.743 . . . . 44.1 111.242 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.643 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 27.8 p90 -141.43 174.28 10.7 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.124 -0.695 . . . . 74.11 109.124 -172.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 5.3 p-10 -131.25 142.8 50.2 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.19 -0.67 . . . . 70.53 109.19 175.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.9 tp -159.47 140.71 12.8 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.611 0.764 . . . . 74.52 109.197 -173.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.94 -111.71 4.41 Favored Glycine 0 C--N 1.349 1.297 0 C-N-CA 121.659 -0.305 . . . . 71.22 112.616 172.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -97.42 -21.22 17.29 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.279 0.632 . . . . 73.21 112.299 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m -135.84 150.41 49.4 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 114.155 1.169 . . . . 70.44 114.155 -163.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 26.8 t60 -86.15 130.76 34.42 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.606 -1.179 . . . . 72.13 108.066 165.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -136.59 162.04 34.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.197 0.599 . . . . 74.35 110.238 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.663 HG22 HG12 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -125.01 120.08 30.54 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 106.263 -1.754 . . . . 73.3 106.263 -177.625 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.643 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 10.3 tp -116.58 136.83 52.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.545 0.738 . . . . 61.4 109.36 -163.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.1 m -88.48 125.03 34.56 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 120.824 0.345 . . . . 71.33 110.994 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.419 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -104.02 126.4 51.11 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 124.462 1.105 . . . . 52.11 109.006 176.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.58 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 40.1 m-85 -106.09 162.63 13.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.377 0.608 . . . . 62.21 111.241 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -96.45 133.54 40.74 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.249 1.419 . . . . 73.13 107.749 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 40.4 t -105.05 123.5 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.089 -1.078 . . . . 75.33 108.089 165.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.54 116.18 1.8 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.311 1.045 . . . . 64.44 111.84 176.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.63 -18.52 54.99 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 115.397 -0.82 . . . . 72.31 112.962 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.622 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 12.5 tp10 -97.06 126.42 42.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.757 0.823 . . . . 64.54 109.676 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.6 m -76.16 -22.77 55.01 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.403 1.081 . . . . 52.4 111.646 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.9 m -88.9 136.75 32.85 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.273 0.629 . . . . 75.03 109.435 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 38.0 mt -80.58 142.29 34.22 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.987 0.915 . . . . 72.33 109.634 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.35 108.01 19.51 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.574 -1.269 . . . . 72.31 107.574 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 104' ' ' ALA . 62.2 t -101.11 102.69 21.41 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 109.108 -0.701 . . . . 73.11 109.108 175.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.556 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 28.4 Cg_endo -85.16 120.93 2.27 Favored 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.899 2.399 . . . . 74.14 109.592 169.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -147.51 166.51 27.07 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.917 0.389 . . . . 73.54 111.127 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.5 p -129.15 165.94 20.31 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.11 0.964 . . . . 74.41 108.808 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -158.27 -165.77 1.78 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.022 0.929 . . . . 73.23 109.411 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.72 -26.24 59.67 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.804 0.668 . . . . 65.35 112.804 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.497 ' HB ' ' NH2' ' A' ' 132' ' ' ARG . 4.5 m -80.0 -29.26 39.4 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.81 0.444 . . . . 63.53 110.935 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.51 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 35.6 p -75.96 -38.6 57.36 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.613 0.365 . . . . 60.54 110.077 172.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -59.76 -34.23 72.71 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.353 0.661 . . . . 64.11 110.979 170.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -75.41 -12.8 60.33 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.408 1.083 . . . . 73.13 110.97 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.84 -6.73 58.02 Favored Glycine 0 C--N 1.35 1.316 0 N-CA-C 115.958 1.143 . . . . 75.24 115.958 174.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -92.54 1.71 57.1 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 118.2 1.0 . . . . 73.31 112.273 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.2 p -127.11 164.38 21.73 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 106.687 -1.597 . . . . 73.42 106.687 155.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 130' ' ' HIS . 19.1 t80 -53.83 98.94 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.323 1.015 . . . . 75.21 111.429 -168.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.51 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 0.0 OUTLIER -62.22 -31.05 71.54 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.955 1.302 . . . . 63.21 112.425 -168.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 128' ' ' TYR . 53.3 m80 -75.72 -12.38 60.18 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 116.519 -0.31 . . . . 71.1 110.833 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 142.09 152.39 5.7 Favored Glycine 0 C--N 1.356 1.686 0 C-N-CA 122.749 0.214 . . . . 55.31 113.187 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.556 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 56.4 mtt180 -108.46 144.58 35.89 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.795 0.838 . . . . 75.2 108.761 175.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -96.15 140.4 30.92 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.442 -0.577 . . . . 60.21 109.442 166.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.1 tt -123.23 131.73 53.78 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.874 -1.158 . . . . 65.11 107.874 171.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -94.02 100.11 12.3 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.261 -1.014 . . . . 73.13 108.261 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 56.6 t -107.34 122.65 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 122.933 0.493 . . . . 61.33 109.781 -173.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.94 118.89 74.33 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 109.262 -0.644 . . . . 44.13 109.262 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -67.9 -32.87 28.02 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.379 2.053 . . . . 73.11 112.09 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 54.05 33.47 17.71 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.344 1.058 . . . . 72.25 112.106 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.39 39.58 52.32 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 115.44 -0.8 . . . . 63.23 114.76 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.448 ' HB2' ' HG2' ' A' ' 5' ' ' PRO . . . -76.08 167.63 21.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.796 0.438 . . . . 72.23 111.416 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.87 173.35 11.63 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.762 -0.829 . . . . 75.25 108.762 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -55.93 109.59 1.53 Allowed Glycine 0 C--N 1.352 1.432 0 O-C-N 123.685 0.616 . . . . 52.02 113.457 -175.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.84 -5.45 27.52 Favored Glycine 0 N--CA 1.471 1.008 0 CA-C-O 119.557 -0.579 . . . . 63.35 113.779 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -87.37 -171.44 3.47 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.946 -0.761 . . . . 51.23 108.946 171.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -142.85 158.23 43.83 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.23 0.538 . . . . 61.31 111.928 173.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.3 m -139.69 154.09 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.773 1.229 . . . . 73.22 108.536 176.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.49 ' H ' HG21 ' A' ' 8' ' ' VAL . . . -79.06 118.93 21.5 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.573 0.225 . . . . 44.01 110.722 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.7 mt -93.5 86.63 5.28 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 108.002 -1.11 . . . . 61.32 108.002 167.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.543 ' HB3' ' HG3' ' A' ' 59' ' ' ARG . 0.6 OUTLIER -84.91 95.95 9.19 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.059 -0.973 . . . . 53.25 108.89 173.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.592 ' HB3' HG21 ' A' ' 180' ' ' ILE . 22.4 m-85 -69.65 -15.91 63.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.346 1.058 . . . . 64.14 111.826 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -56.62 -27.11 57.56 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.25 0.62 . . . . 73.32 110.138 169.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.551 HD11 HG12 ' A' ' 19' ' ' ILE . 2.9 mm? -101.41 17.95 21.36 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.47 1.108 . . . . 75.41 111.815 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -73.28 104.98 4.49 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.727 -1.212 . . . . 60.44 107.727 165.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -98.93 176.13 5.7 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 122.287 1.041 . . . . 73.45 110.928 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -113.24 139.26 22.91 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 113.731 -1.577 . . . . 72.45 109.281 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.58 150.24 4.1 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.934 2.423 . . . . 74.11 113.173 168.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -66.76 -4.32 8.78 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.517 0.727 . . . . 75.02 112.893 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 163' ' ' GLY . 11.3 m -65.74 -29.14 69.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.989 0.916 . . . . 74.14 111.857 172.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.421 ' HB2' ' CD2' ' A' ' 128' ' ' TYR . . . -65.87 -21.85 66.49 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.875 0.87 . . . . 73.14 112.063 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . 0.418 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 3.2 m-85 -84.21 -1.84 55.85 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.328 1.051 . . . . 74.23 110.835 -175.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.77 12.53 37.25 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 123.731 0.644 . . . . 31.43 112.734 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -100.11 159.97 19.37 Favored Glycine 0 C--N 1.351 1.393 0 N-CA-C 111.993 -0.443 . . . . 63.05 111.993 176.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 46.8 m -101.39 84.89 2.68 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.781 0.432 . . . . 53.5 110.429 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -113.52 178.32 4.32 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.4 0.68 . . . . 71.31 111.329 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 53.2 p -91.05 105.99 18.21 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.365 0.666 . . . . 71.32 110.931 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . 0.438 ' SG ' HG23 ' A' ' 78' ' ' THR . 24.4 p -93.42 116.07 28.61 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.823 -1.177 . . . . 44.33 107.823 174.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -71.54 93.56 1.22 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.5 -0.555 . . . . 63.43 109.5 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 76' ' ' GLU . 42.6 mt -65.42 110.27 4.15 Favored Pre-proline 0 C--O 1.242 0.67 0 C-N-CA 123.767 0.827 . . . . 72.04 108.802 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -74.65 161.25 39.93 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 122.257 1.971 . . . . 53.53 112.205 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.39 155.48 61.9 Favored 'Trans proline' 0 C--N 1.371 1.721 0 C-N-CA 122.159 1.906 . . . . 74.54 110.806 168.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.39 -15.25 47.79 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.761 0.824 . . . . 42.01 113.11 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.05 -15.17 62.02 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.126 0.97 . . . . 72.42 111.2 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -94.18 18.44 10.87 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.136 0.974 . . . . 64.14 111.361 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -94.85 123.26 38.21 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.589 -0.523 . . . . 70.23 109.589 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 177' ' ' PRO . 58.5 t -94.67 129.03 37.55 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 123.5 0.72 . . . . 64.31 109.136 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 176' ' ' VAL . 9.0 Cg_exo -74.25 56.09 3.71 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 124.023 3.149 . . . . 72.45 112.643 173.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.7 152.97 32.34 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.058 0.943 . . . . 72.54 109.222 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.06 122.01 33.34 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.02 -0.733 . . . . 72.45 109.02 170.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . 0.592 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -106.21 88.95 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 106.981 -1.489 . . . . 72.11 106.981 175.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 16.9 p -71.23 -26.14 62.79 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.356 -0.838 . . . . 73.43 112.522 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -90.11 124.54 34.89 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.302 0.572 . . . . 71.14 110.312 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 175.06 -154.83 19.26 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 107.963 -2.055 . . . . 42.04 107.963 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . 0.456 ' HG3' ' HB2' ' A' ' 50' ' ' ARG . 16.6 tt0 -99.38 126.43 45.27 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 107.686 -1.228 . . . . 71.22 107.686 155.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -76.96 151.32 35.73 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-O 121.715 0.769 . . . . 73.24 110.169 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.467 HG21 ' HB2' ' A' ' 128' ' ' TYR . 15.7 t -138.97 176.04 6.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 105.979 -1.86 . . . . 73.32 105.979 -175.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . 0.561 ' HB2' HD23 ' A' ' 190' ' ' LEU . 15.8 m-20 -146.51 139.75 25.68 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.773 -0.579 . . . . 72.4 109.463 171.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -45.63 -23.58 0.26 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 124.532 1.145 . . . . 74.52 113.341 163.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.59 -53.41 56.63 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.486 1.114 . . . . 74.04 110.546 170.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.561 HD23 ' HB2' ' A' ' 187' ' ' ASP . 3.9 mm? -75.77 -65.66 0.88 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.979 0.912 . . . . 71.35 111.292 -177.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 CA--C 1.563 1.457 0 C-N-CA 124.747 1.219 . . . . 75.02 112.541 -173.147 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptp . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 121.089 0.471 . . . . 60.33 110.424 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 t -57.35 -44.54 99.68 Favored Pre-proline 0 CA--C 1.567 1.622 0 CA-C-O 118.943 -0.551 . . . . 73.12 110.886 176.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -98.7 173.88 0.48 Allowed 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 122.556 2.171 . . . . 65.32 111.452 158.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.0 tt -69.39 141.63 91.24 Favored Pre-proline 0 CA--C 1.566 1.595 0 N-CA-C 107.582 -1.266 . . . . 74.33 107.582 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 19.1 Cg_endo -65.05 125.42 14.63 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 121.366 1.378 . . . . 43.42 111.813 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 171.12 -49.41 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 125.637 1.575 . . . . 75.24 108.485 -169.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.24 21.16 0.62 Allowed 'Trans proline' 0 C--N 1.397 3.126 0 C-N-CA 122.803 2.335 . . . . 74.02 112.613 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.1 m -65.86 -27.31 40.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.451 1.1 . . . . 64.44 109.278 172.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 t -80.57 83.0 6.45 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 115.508 -0.769 . . . . 74.33 109.165 166.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -37.65 153.51 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 125.272 1.429 . . . . 42.11 113.427 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -54.64 139.42 38.67 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.729 0.812 . . . . 73.44 110.37 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -37.73 -47.53 0.99 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.432 1.641 . . . . 70.41 115.432 -165.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.87 -52.51 59.69 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.278 0.631 . . . . 72.35 111.411 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -74.46 -25.0 59.13 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.141 0.576 . . . . 53.14 111.242 -176.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.451 ' O ' HG13 ' A' ' 19' ' ' ILE . 21.0 t90 -64.35 -54.82 27.06 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.799 1.239 . . . . 74.15 109.388 173.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -55.61 -38.56 69.61 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 115.027 -0.988 . . . . 62.43 109.841 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.75 97.42 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.847 -0.597 . . . . 74.54 112.14 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 26.4 mmt180 -59.87 -48.75 80.43 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.639 0.375 . . . . 74.43 110.073 175.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 15' ' ' TRP . 23.7 mt -62.7 -43.53 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 115.64 -0.709 . . . . 74.31 110.643 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.24 89.76 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 114.76 -1.109 . . . . 61.43 110.571 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.96 73.76 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.498 0.719 . . . . 63.21 111.448 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -59.43 -53.62 56.12 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.915 0.886 . . . . 74.21 109.819 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -65.03 -41.57 95.14 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-N 114.834 -1.075 . . . . 73.14 111.111 -178.45 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.97 91.9 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.349 0.522 . . . . 52.13 111.402 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.72 -48.73 80.47 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.802 0.689 . . . . 74.42 110.557 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 40.2 mmtm -72.94 -20.59 61.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.562 -0.29 . . . . 65.04 111.408 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' HA ' HD23 ' A' ' 49' ' ' LEU . 8.1 t70 -70.84 -45.14 65.07 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.547 -0.908 . . . . 62.25 108.547 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.61 -18.55 47.85 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.448 -0.796 . . . . 72.54 111.7 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.52 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 37.7 t80 -60.56 -67.37 0.4 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.895 0.478 . . . . 74.13 110.867 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -71.17 -3.99 23.06 Favored 'General case' 0 CA--C 1.565 1.558 0 N-CA-C 113.264 0.838 . . . . 63.01 113.264 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.45 -47.63 5.6 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.68 0.792 . . . . 72.45 112.302 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 t -138.04 45.9 2.09 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-O 122.553 1.168 . . . . 42.35 110.669 -173.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.52 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 80.6 m80 -149.07 134.71 18.69 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 113.947 -1.479 . . . . 63.41 109.661 173.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.05 -36.2 72.43 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.331 1.452 . . . . 75.11 111.881 -175.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -61.6 -25.58 67.43 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.904 1.076 . . . . 72.14 113.904 -167.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 59.5 m -144.74 106.33 4.61 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 107.217 -1.401 . . . . 53.24 107.217 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -90.87 124.61 0.97 Allowed 'Trans proline' 0 CA--C 1.551 1.357 0 C-N-CA 122.192 1.928 . . . . 50.31 112.797 173.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.525 HG13 ' HB2' ' A' ' 30' ' ' LEU . 40.4 mt -71.33 130.81 87.26 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 107.684 -1.228 . . . . 74.32 107.684 162.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -44.5 131.24 9.52 Favored 'Trans proline' 0 C--N 1.385 2.493 0 C-N-CA 123.52 2.813 . . . . 74.41 113.104 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -53.02 -26.84 33.68 Favored 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 124.083 3.189 . . . . 70.34 115.393 -167.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.62 94.24 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.415 0.286 . . . . 54.33 111.545 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -83.46 -41.7 17.75 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.391 0.676 . . . . 63.33 110.785 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -62.83 -30.6 71.61 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.55 0.74 . . . . 74.51 111.473 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.16 -40.92 99.7 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 116.03 -0.532 . . . . 70.33 112.334 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.12 30.25 3.53 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.231 1.012 . . . . 73.3 111.095 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -74.36 117.15 15.85 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 120.952 0.406 . . . . 74.51 110.773 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -102.52 -37.21 8.09 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 108.617 -0.883 . . . . 63.21 108.617 169.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.33 175.54 33.46 Favored Glycine 0 C--O 1.241 0.584 0 CA-C-N 114.172 -1.376 . . . . 72.45 110.209 -174.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 30' ' ' LEU . 4.0 mm? -83.29 -168.03 1.93 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.38 -0.6 . . . . 71.34 109.38 167.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.21 177.47 4.62 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.902 -0.777 . . . . 70.41 108.902 -172.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.624 ' HA ' ' HA ' ' A' ' 184' ' ' GLU . 44.3 p90 -158.71 146.46 17.95 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.434 0.459 . . . . 74.55 111.747 176.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -88.05 167.77 13.39 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 108.251 -1.018 . . . . 75.12 108.251 159.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -76.0 145.03 40.55 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 109.201 -0.666 . . . . 73.11 109.201 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.5 mm -72.39 113.63 9.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 123.25 0.62 . . . . 71.41 109.402 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -123.8 123.04 39.61 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.34 0.656 . . . . 71.35 110.585 -169.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.79 -11.35 59.62 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.464 1.106 . . . . 63.32 113.697 -175.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -79.04 -29.61 43.62 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 118.547 0.612 . . . . 74.4 109.591 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 62.0 m-85 -76.36 0.61 18.9 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.985 0.514 . . . . 75.43 111.283 171.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.514 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 53.1 ttp85 -102.94 87.37 2.91 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.392 -0.966 . . . . 65.12 108.392 175.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.6 m -99.63 156.34 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 115.894 -0.594 . . . . 74.12 110.048 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.87 138.78 33.78 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.446 -0.946 . . . . 71.41 108.446 175.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -129.59 140.34 51.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 122.95 0.5 . . . . 74.23 109.825 175.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -72.98 117.82 15.17 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 107.595 -1.261 . . . . 70.32 107.595 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -80.3 110.86 16.14 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 124.215 0.947 . . . . 72.11 108.804 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -110.88 101.69 50.41 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 108.286 -1.005 . . . . 71.21 108.286 169.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.78 153.11 76.63 Favored 'Trans proline' 0 C--N 1.365 1.441 0 C-N-CA 122.683 2.255 . . . . 71.43 111.079 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.86 98.56 1.59 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.374 -0.973 . . . . 74.12 108.374 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -57.95 -29.47 65.21 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.31 1.044 . . . . 75.12 111.029 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -144.82 91.71 6.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 124.418 1.087 . . . . 73.13 108.099 171.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.53 ' HB3' ' O ' ' A' ' 87' ' ' ARG . 5.5 Cg_exo -75.66 150.89 36.0 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.43 2.753 . . . . 52.1 112.392 -175.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.22 166.64 26.41 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.798 0.839 . . . . 73.22 110.146 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.2 135.18 34.46 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 123.401 0.68 . . . . 40.31 109.318 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 35.1 m -128.08 154.98 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.789 1.236 . . . . 75.24 108.676 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -105.61 106.15 16.52 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.23 -0.656 . . . . 74.13 109.23 -173.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.461 HD23 ' HD2' ' A' ' 85' ' ' TYR . 2.8 mm? -91.19 134.8 34.25 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 107.813 -1.181 . . . . 73.44 107.813 175.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.75 153.88 35.03 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.788 0.435 . . . . 64.24 110.032 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.4 p -136.41 167.7 20.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.251 0.621 . . . . 73.1 110.464 -177.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.6 p -98.63 -31.38 11.96 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.499 1.12 . . . . 73.14 110.94 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -72.57 -32.82 66.34 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.21 0.604 . . . . 71.33 112.537 -176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.49 -120.75 0.98 Allowed Glycine 0 C--N 1.346 1.112 0 CA-C-O 118.451 -1.194 . . . . 64.43 112.397 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -56.79 137.95 83.49 Favored 'Trans proline' 0 C--N 1.384 2.447 0 C-N-CA 123.829 3.02 . . . . 51.22 112.784 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -64.14 145.08 88.68 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 123.026 2.484 . . . . 73.24 112.822 -173.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.26 111.84 19.75 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.77 0.828 . . . . 72.11 109.646 -175.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.489 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 38.5 mt-10 -88.59 118.04 27.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.283 0.633 . . . . 52.34 110.266 -178.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.461 ' HD2' HD23 ' A' ' 75' ' ' LEU . 63.5 m-85 -126.99 147.87 50.11 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.08 0.952 . . . . 74.02 109.269 -176.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.4 m -86.29 135.85 33.39 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 109.072 -0.714 . . . . 44.42 109.072 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 70' ' ' PRO . 15.5 mtm180 -74.78 115.37 14.29 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.721 -0.474 . . . . 65.22 109.721 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.55 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -83.19 -46.51 12.63 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.297 0.639 . . . . 65.34 111.378 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -159.87 175.13 13.44 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.433 -0.803 . . . . 72.34 110.562 -173.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.0 t -136.19 118.38 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 N-CA-C 107.023 -1.473 . . . . 74.45 107.023 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.407 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 2.5 mm? -101.12 134.58 43.92 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.268 0.627 . . . . 72.3 111.059 -177.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.31 114.94 3.1 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.857 -0.497 . . . . 62.04 111.857 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.533 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 19.7 p90 -134.43 150.93 50.9 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.185 0.594 . . . . 62.31 109.458 -170.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 9.3 p-10 -109.98 112.07 23.85 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.32 -0.992 . . . . 75.04 108.32 169.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tt -92.86 86.18 5.4 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 107.853 -1.166 . . . . 74.53 107.853 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.03 -73.74 2.53 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-N 113.547 -1.661 . . . . 44.42 111.455 164.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -117.47 -24.5 7.32 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.642 0.777 . . . . 63.31 111.197 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.9 m -107.17 123.15 47.85 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.349 0.26 . . . . 61.31 110.756 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 47.1 p-80 -94.89 111.31 23.11 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 108.338 -0.986 . . . . 73.23 108.338 174.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -127.16 156.72 41.35 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 123.983 0.913 . . . . 63.23 109.292 -172.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.8 m -117.41 145.43 44.11 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 107.909 -1.145 . . . . 55.02 107.909 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.533 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 9.3 tp -139.53 118.8 12.78 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.023 -0.732 . . . . 73.11 109.023 -167.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.9 m -83.97 126.4 32.98 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 122.703 0.401 . . . . 73.21 110.463 -172.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -105.02 127.5 52.89 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.185 0.994 . . . . 71.5 109.823 -178.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.437 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 50.5 m-85 -99.73 174.04 6.41 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.511 0.724 . . . . 73.14 110.522 177.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.55 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 37.3 ttm180 -119.84 121.95 40.24 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.176 0.991 . . . . 75.53 108.942 -173.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.6 131.27 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.042 0.937 . . . . 71.43 109.853 176.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -85.09 159.71 20.12 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.47 1.108 . . . . 65.22 110.79 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.47 -43.02 1.06 Allowed Glycine 0 N--CA 1.483 1.804 0 CA-C-N 115.426 -0.807 . . . . 70.23 112.45 -168.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.443 ' HG3' ' H ' ' A' ' 112' ' ' SER . 12.5 tp10 -77.28 160.06 29.14 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.299 1.44 . . . . 75.02 107.951 161.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.8 m -116.96 -11.43 10.8 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.289 0.635 . . . . 64.44 109.697 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.443 ' H ' ' HG3' ' A' ' 110' ' ' GLU . 37.8 m -89.62 172.63 8.81 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.065 0.946 . . . . 73.42 110.895 -176.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.421 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 21.0 mt -96.4 130.63 43.49 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 107.719 -1.215 . . . . 75.12 107.719 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.1 102.2 14.51 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.128 -1.064 . . . . 74.24 108.128 -173.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 104' ' ' ALA . 12.6 t -111.68 94.92 25.5 Favored Pre-proline 0 N--CA 1.469 0.511 0 C-N-CA 123.043 0.537 . . . . 64.34 109.578 -175.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -76.81 115.81 4.12 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.094 1.863 . . . . 72.41 110.002 170.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -128.05 160.27 32.48 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 121.901 0.858 . . . . 70.01 111.03 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.619 HG23 ' HG2' ' A' ' 170' ' ' PRO . 11.0 p -127.75 163.18 24.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 113.738 -1.573 . . . . 73.44 107.872 172.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 4.4 p30 -161.14 -160.22 0.72 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.551 0.532 . . . . 74.44 109.971 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.89 -35.2 78.07 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.609 0.596 . . . . 75.25 112.609 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.0 p -74.56 -12.78 60.55 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 113.065 0.765 . . . . 61.23 113.065 -171.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 69.9 p -65.7 -40.91 92.77 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 109.538 -0.542 . . . . 71.45 109.538 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -73.06 -24.1 60.64 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 114.49 -1.232 . . . . 64.3 112.261 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -92.01 -20.4 21.37 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.828 -0.434 . . . . 72.54 109.828 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.48 28.13 66.27 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-N 115.932 -0.577 . . . . 62.43 114.525 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -88.3 -20.96 24.72 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.673 0.749 . . . . 73.24 109.697 171.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.434 ' HA ' ' HB ' ' A' ' 186' ' ' VAL . 23.3 p -125.45 -177.52 3.92 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.861 1.264 . . . . 61.25 108.71 169.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -57.12 113.41 1.7 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.69 0.796 . . . . 74.13 112.867 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -57.79 -39.08 76.69 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.18 0.992 . . . . 73.32 111.088 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -70.35 -10.58 59.42 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.435 0.694 . . . . 70.24 111.698 -175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.07 174.04 26.44 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 110.47 -1.052 . . . . 64.43 110.47 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.56 157.7 44.44 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.034 -0.728 . . . . 73.2 109.034 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.567 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 91.9 m-85 -92.55 176.13 6.57 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.442 -0.577 . . . . 74.34 109.442 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.3 tt -146.7 132.92 19.41 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.388 -1.708 . . . . 73.21 106.388 167.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.85 110.42 22.78 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 107.482 -1.303 . . . . 62.31 107.482 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.38 126.68 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.878 0.471 . . . . 72.53 110.21 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -87.61 116.42 66.07 Favored Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 108.373 -0.973 . . . . 53.44 108.373 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -69.72 -28.28 25.63 Favored 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.224 1.949 . . . . 71.12 112.577 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.15 29.49 4.83 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.436 1.094 . . . . 62.13 112.149 -170.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 48.82 57.49 8.56 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.664 -0.698 . . . . 53.15 114.362 -166.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.01 168.92 19.15 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.478 0.311 . . . . 75.41 110.616 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -134.78 177.01 8.13 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.146 0.578 . . . . 74.24 109.652 -173.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.03 104.8 0.64 Allowed Glycine 0 C--N 1.355 1.63 0 C-N-CA 123.757 0.694 . . . . 44.34 113.528 -173.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.14 8.27 50.83 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 113.801 0.28 . . . . 65.13 113.801 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 5' ' ' PRO . 11.6 m-20 -80.98 -170.99 2.97 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.808 -0.812 . . . . 72.52 108.808 166.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -140.46 153.44 46.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.709 0.766 . . . . 73.54 111.919 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 24.4 m -134.56 161.5 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.288 1.435 . . . . 63.24 108.834 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.96 111.84 19.62 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.887 0.475 . . . . 62.31 109.984 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.97 90.46 7.89 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.379 -1.341 . . . . 71.24 107.379 168.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 51.7 t0 -101.33 119.61 39.01 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 114.613 -1.176 . . . . 71.23 109.643 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.531 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 48.5 m-85 -80.05 -16.46 55.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.064 -0.971 . . . . 72.14 112.528 -174.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.486 HD22 HD22 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -80.2 -4.55 53.53 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 119.704 1.138 . . . . 74.33 111.179 173.255 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.486 HD22 HD22 ' A' ' 152' ' ' ASN . 3.8 mm? -92.14 8.95 35.65 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.311 0.644 . . . . 72.32 110.914 165.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.05 127.46 21.55 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 122.936 0.494 . . . . 43.14 110.889 171.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.567 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 83.6 t80 -99.51 153.53 18.96 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 124.282 1.033 . . . . 74.23 109.665 -170.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -96.61 123.6 53.58 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.835 1.254 . . . . 63.34 111.862 -166.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . 0.535 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 61.5 Cg_endo -75.35 126.55 9.82 Favored 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 122.022 1.814 . . . . 74.51 110.94 166.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -67.85 -22.1 65.15 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.254 0.622 . . . . 75.35 111.752 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 157' ' ' PRO . 25.6 p -57.72 -37.64 73.89 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.089 0.956 . . . . 74.2 111.415 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.29 -10.62 59.55 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.344 0.658 . . . . 72.22 111.643 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -94.04 -12.18 29.12 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.636 0.774 . . . . 65.43 110.26 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 107.15 -25.99 20.29 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 119.876 -0.402 . . . . 72.52 112.459 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -60.73 113.75 5.88 Favored Glycine 0 C--N 1.358 1.781 0 N-CA-C 110.583 -1.007 . . . . 45.33 110.583 172.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.8 m -71.41 89.81 0.94 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.428 0.691 . . . . 61.53 111.49 -167.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -124.59 148.78 47.64 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.124 0.969 . . . . 71.11 111.352 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 36.2 p -73.08 121.51 20.3 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.403 -0.817 . . . . 70.53 109.556 173.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.16 126.39 52.73 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 108.134 -1.061 . . . . 74.1 108.134 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -69.99 97.66 1.18 Allowed 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.852 0.72 . . . . 62.53 109.26 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 92.8 mt -58.64 113.6 7.04 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.05 0.94 . . . . 71.44 109.6 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.619 ' HG2' HG23 ' A' ' 118' ' ' THR . 26.3 Cg_exo -66.39 132.44 29.36 Favored 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 122.627 2.218 . . . . 74.42 112.104 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -67.74 173.78 8.55 Favored 'Trans proline' 0 C--N 1.372 1.811 0 C-N-CA 122.499 2.132 . . . . 75.42 111.867 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -59.77 -28.88 67.79 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.465 0.706 . . . . 51.53 111.694 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.61 -23.15 62.51 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.719 0.808 . . . . 52.33 111.349 177.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.455 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.5 m-20 -103.86 18.92 20.96 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.828 0.451 . . . . 61.24 111.214 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -100.39 109.14 21.29 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.751 -0.463 . . . . 73.22 109.751 172.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 26.2 t -77.02 131.39 73.07 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.011 0.924 . . . . 73.21 109.442 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -80.67 41.98 1.25 Allowed 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 123.149 2.566 . . . . 65.13 112.894 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -143.54 158.53 43.58 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.636 0.775 . . . . 71.44 110.144 -175.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -86.96 106.45 17.81 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.271 0.628 . . . . 74.32 110.147 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.0 mp -96.43 91.8 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 N-CA-C 108.361 -0.977 . . . . 63.21 108.361 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 55.0 p -96.18 65.34 2.4 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.746 0.784 . . . . 62.22 109.451 171.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -151.34 121.25 7.1 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.354 -0.98 . . . . 74.13 108.354 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 171.19 -156.14 25.8 Favored Glycine 0 C--O 1.241 0.58 0 N-CA-C 109.099 -1.6 . . . . 71.24 109.099 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . 0.624 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -84.12 144.01 29.31 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 106.43 -1.693 . . . . 53.41 106.43 154.68 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -76.43 135.25 39.43 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 108.211 -1.033 . . . . 75.05 108.211 -173.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.434 ' HB ' ' HA ' ' A' ' 127' ' ' THR . 51.4 t -107.32 139.55 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.807 -0.558 . . . . 63.3 110.224 -172.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -70.5 111.87 6.35 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 123.269 0.628 . . . . 72.4 109.949 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -67.35 -0.82 3.91 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.35 1.06 . . . . 51.12 112.365 171.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -71.56 -52.21 19.38 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.754 1.221 . . . . 71.4 110.346 168.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.44 -46.28 17.82 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.358 0.663 . . . . 34.45 110.484 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 108.877 -0.786 . . . . 52.21 108.877 175.609 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.658 ' SD ' ' HA3' ' A' ' 140' ' ' GLY . 52.2 ttp . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 110.056 -0.35 . . . . 71.2 110.056 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -159.34 -51.05 0.01 OUTLIER Pre-proline 0 CA--C 1.56 1.34 0 C-N-CA 123.864 0.866 . . . . 65.31 109.362 170.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -87.73 -177.08 1.89 Allowed 'Trans proline' 0 C--N 1.39 2.75 0 C-N-CA 122.375 2.05 . . . . 62.25 110.538 160.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mt -57.69 132.36 82.51 Favored Pre-proline 0 CA--C 1.553 1.064 0 O-C-N 123.603 0.564 . . . . 73.23 110.442 171.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.97 126.59 18.35 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.552 2.168 . . . . 73.53 111.497 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.7 mt -175.15 -53.23 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 125.923 1.689 . . . . 75.03 108.017 -167.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -85.27 27.33 0.61 Allowed 'Trans proline' 0 C--N 1.4 3.274 0 C-N-CA 122.032 1.821 . . . . 64.11 111.956 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.66 -12.56 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.255 1.022 . . . . 62.31 111.896 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -71.79 -37.13 70.48 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 119.176 -0.44 . . . . 73.14 110.89 171.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.2 t0 86.08 154.3 0.08 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.761 1.225 . . . . 62.34 109.27 171.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -48.14 120.73 3.73 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.557 0.743 . . . . 75.01 110.947 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.08 -29.5 30.74 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 115.243 1.572 . . . . 55.31 115.243 -157.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -69.94 -45.12 68.15 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 123.084 0.554 . . . . 74.12 110.017 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -69.26 -36.28 76.96 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.529 -0.759 . . . . 55.33 110.857 176.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -60.23 -46.48 89.64 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.607 1.163 . . . . 72.24 110.371 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -58.96 -41.57 87.82 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.737 -1.119 . . . . 72.14 109.766 175.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.06 97.41 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 118.734 -0.651 . . . . 75.41 112.322 173.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 24.3 mmt180 -59.69 -48.26 82.38 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 118.399 0.545 . . . . 72.04 109.621 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.493 HG21 HD12 ' A' ' 54' ' ' ILE . 72.4 mt -63.85 -45.63 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 115.062 -0.972 . . . . 72.21 111.384 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.42 99.09 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.329 0.652 . . . . 74.31 111.029 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.17 77.46 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.615 0.766 . . . . 63.32 111.463 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -67.01 -41.88 85.91 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.616 0.766 . . . . 74.51 109.97 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -63.17 -47.36 82.97 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 115.257 -0.883 . . . . 71.34 109.954 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.68 79.32 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.572 0.749 . . . . 65.24 111.22 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.99 -59.23 5.75 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.029 0.932 . . . . 72.44 110.869 172.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -64.46 -18.06 64.41 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.293 0.637 . . . . 72.12 112.322 -179.392 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HA ' HD23 ' A' ' 49' ' ' LEU . 16.6 t70 -78.39 -53.44 7.27 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.84 1.256 . . . . 75.33 109.708 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.23 -17.44 59.5 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 116.014 -0.539 . . . . 74.13 111.352 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -48.52 -69.45 0.12 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.329 1.052 . . . . 73.15 111.724 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.679 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -59.99 -25.33 65.18 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.265 0.468 . . . . 64.51 112.265 -172.637 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.58 -54.1 6.8 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.118 0.567 . . . . 54.1 111.575 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p -88.64 -56.3 3.36 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.102 0.561 . . . . 71.33 111.393 -171.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -47.42 102.6 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.275 1.43 . . . . 64.43 111.92 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.39 -19.08 63.82 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.286 1.034 . . . . 73.45 112.536 -172.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -81.16 -5.88 58.21 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.499 0.72 . . . . 71.23 111.919 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.6 m -154.55 67.42 5.48 Favored Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 124.663 1.185 . . . . 44.44 108.118 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -85.65 137.66 5.84 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.327 2.018 . . . . 71.41 112.476 -174.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.5 tt -77.93 134.0 64.9 Favored Pre-proline 0 CA--C 1.554 1.107 0 N-CA-C 107.988 -1.116 . . . . 74.54 107.988 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -31.83 132.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.394 2.934 0 C-N-CA 124.853 3.702 . . . . 75.53 114.676 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -52.84 -24.09 22.84 Favored 'Trans proline' 0 C--N 1.384 2.445 0 C-N-CA 123.737 2.958 . . . . 62.51 114.15 -171.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.52 -49.38 66.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.208 0.603 . . . . 40.42 111.222 175.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -78.75 -34.92 45.33 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.649 0.78 . . . . 73.44 110.488 -177.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -57.79 -37.73 74.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.759 0.823 . . . . 72.03 110.846 170.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.01 -37.63 73.76 Favored Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.414 -0.812 . . . . 52.34 111.772 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.81 19.35 4.83 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.017 0.927 . . . . 73.24 112.146 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -73.12 103.54 3.9 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.233 0.54 . . . . 63.11 110.497 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -111.87 4.21 18.14 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.243 1.017 . . . . 60.24 108.951 171.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.86 147.13 12.16 Favored Glycine 0 C--N 1.342 0.882 0 N-CA-C 109.969 -1.252 . . . . 73.44 109.969 -167.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.582 HD21 HD21 ' A' ' 30' ' ' LEU . 2.5 mm? -80.43 169.74 17.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.405 0.682 . . . . 74.1 110.17 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' N ' ' HD2' ' A' ' 50' ' ' ARG . 3.4 mpt_? -91.81 141.89 28.17 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.527 -0.76 . . . . 65.22 109.518 -168.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 183' ' ' GLY . 24.7 p90 -162.59 168.77 21.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.441 0.696 . . . . 74.34 110.557 178.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -102.9 172.32 6.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.273 1.029 . . . . 62.24 109.391 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -74.31 160.65 30.8 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.865 0.466 . . . . 71.44 110.2 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.493 HD12 HG21 ' A' ' 19' ' ' ILE . 11.5 mm -71.48 116.07 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 123.536 0.522 . . . . 75.12 109.846 -174.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -112.17 115.39 28.76 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.274 0.63 . . . . 72.14 109.837 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.72 -17.21 61.64 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.444 0.697 . . . . 63.12 112.363 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.9 m -81.48 -16.73 51.02 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.439 0.296 . . . . 70.42 110.826 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.89 -9.8 59.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.703 0.401 . . . . 71.3 111.278 169.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 11.8 ttm180 -89.69 95.29 10.19 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.089 -1.078 . . . . 74.24 108.089 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.2 m -100.22 147.17 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.279 -0.637 . . . . 73.55 109.279 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.95 112.95 21.67 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.21 -1.033 . . . . 72.4 108.21 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -105.93 129.43 54.08 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.138 -0.689 . . . . 41.31 109.138 -173.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.66 110.12 7.7 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 108.511 -0.922 . . . . 74.11 108.511 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -77.02 129.03 35.56 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 124.244 1.018 . . . . 65.43 109.643 -172.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 24.6 tt0 -133.03 103.55 12.88 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 123.752 0.821 . . . . 64.2 109.323 172.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.22 161.03 47.51 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.003 1.802 . . . . 73.02 111.782 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.04 113.1 14.39 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.253 -1.017 . . . . 60.14 108.253 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -68.82 -20.49 64.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.466 0.706 . . . . 75.44 110.983 -174.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.5 82.66 12.57 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 107.138 -1.43 . . . . 73.44 107.138 172.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.17 130.39 32.15 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.7 2.267 . . . . 64.03 112.3 -175.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -134.77 157.38 46.89 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.862 0.865 . . . . 74.42 110.725 -170.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.35 114.65 27.25 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.601 0.76 . . . . 64.22 111.231 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 19.6 m -107.07 168.44 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.573 1.149 . . . . 65.45 109.892 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -108.62 129.39 55.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.976 0.51 . . . . 74.1 110.218 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.0 139.73 49.97 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 108.093 -1.077 . . . . 71.33 108.093 171.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -66.37 150.23 49.2 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.538 -0.542 . . . . 72.42 109.538 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.1 p -125.56 153.92 42.97 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.638 -0.505 . . . . 74.44 109.638 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.561 HG23 HD11 ' A' ' 169' ' ' LEU . 22.9 p -74.28 -29.76 61.8 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.841 -0.618 . . . . 74.35 110.291 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -81.81 -24.2 36.05 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.006 0.743 . . . . 72.34 113.006 -172.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 162.45 -123.45 1.19 Allowed Glycine 0 C--N 1.356 1.642 0 CA-C-O 118.681 -1.066 . . . . 34.51 113.609 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.52 153.42 71.45 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 123.621 2.881 . . . . 53.35 113.428 -174.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.98 140.23 65.17 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.036 1.824 . . . . 54.15 111.886 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.97 129.33 45.27 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.136 0.974 . . . . 64.45 110.203 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 15.3 pt-20 -80.39 125.54 30.04 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 123.693 0.621 . . . . 65.01 110.495 177.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 168' ' ' ALA . 45.0 m-85 -128.94 142.82 50.81 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.518 -0.919 . . . . 74.44 108.518 174.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.8 m -85.44 139.63 31.37 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.401 -0.592 . . . . 72.31 109.401 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -75.53 116.69 16.52 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.482 -0.562 . . . . 72.42 109.482 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -86.14 -50.54 6.93 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.639 0.375 . . . . 63.23 110.875 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.53 173.55 16.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.607 0.718 . . . . 71.14 111.61 -173.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.9 t -134.48 119.08 28.48 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 125.305 1.442 . . . . 75.23 107.207 174.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.482 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.0 mm? -99.07 118.35 35.62 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.788 0.835 . . . . 73.25 110.58 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.46 116.89 4.87 Favored Glycine 0 N--CA 1.471 0.983 0 N-CA-C 110.656 -0.978 . . . . 70.3 110.656 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.599 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 52.5 p90 -143.24 -175.38 4.51 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 117.61 0.705 . . . . 71.05 110.292 -169.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -139.18 137.71 36.28 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.333 0.587 . . . . 74.04 109.703 171.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.4 tp -139.13 136.41 35.12 Favored 'General case' 0 C--O 1.249 1.038 0 C-N-CA 124.692 1.197 . . . . 72.14 108.054 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.67 -107.69 1.97 Allowed Glycine 0 C--N 1.353 1.506 0 CA-C-O 120.989 0.216 . . . . 42.31 112.953 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -117.73 -5.41 11.11 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.195 0.998 . . . . 71.45 110.251 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.6 m -115.94 132.96 56.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.002 0.521 . . . . 70.5 111.298 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -86.85 124.33 32.96 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 106.845 -1.539 . . . . 74.43 106.845 167.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -138.92 153.6 48.26 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.081 0.467 . . . . 73.44 110.558 -171.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 m -118.07 148.37 42.35 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.184 0.994 . . . . 71.32 109.016 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.599 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 6.2 tp -141.63 131.91 25.01 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.186 -0.672 . . . . 53.12 109.186 -171.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 m -87.81 127.98 35.33 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.469 0.307 . . . . 75.12 110.769 -174.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -101.9 120.84 41.04 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.541 0.737 . . . . 53.54 109.423 174.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.58 171.95 8.22 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 122.965 0.506 . . . . 70.22 109.857 175.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.569 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 39.6 ttm180 -119.85 131.56 55.32 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.401 1.08 . . . . 71.15 108.91 -175.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.21 113.4 44.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 124.573 1.149 . . . . 74.22 107.979 170.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.19 132.04 52.41 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.185 0.994 . . . . 73.02 111.583 -172.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 88.34 -21.62 24.05 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-N 115.857 -0.61 . . . . 71.32 112.637 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -97.12 129.19 44.55 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.828 0.851 . . . . 73.42 109.202 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.0 t -67.94 -24.57 65.19 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.875 1.27 . . . . 61.44 112.618 -178.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.532 ' HB3' ' HB2' ' A' ' 135' ' ' ASP . 15.2 m -90.49 143.34 26.84 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.529 0.732 . . . . 71.21 111.17 -174.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 21.1 mt -83.81 137.68 33.59 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.167 0.987 . . . . 74.43 108.93 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.56 103.97 15.86 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.605 -0.887 . . . . 61.53 108.605 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 104' ' ' ALA . 24.2 t -108.8 100.37 39.02 Favored Pre-proline 0 C--O 1.244 0.788 0 C-N-CA 124.029 0.932 . . . . 74.34 108.566 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 90.2 Cg_endo -86.96 135.01 3.81 Favored 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 122.576 2.184 . . . . 72.4 110.814 169.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -151.02 167.98 26.0 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.381 0.61 . . . . 53.15 111.416 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.8 p -137.36 171.17 14.87 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 114.414 -1.266 . . . . 75.22 107.822 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -160.53 -168.35 2.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.811 0.844 . . . . 75.21 109.985 -174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -67.34 -33.98 76.38 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 119.636 -0.221 . . . . 74.43 111.583 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.5 m -71.52 -37.43 71.2 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.16 0.584 . . . . 71.13 111.19 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.484 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 27.6 p -73.98 -42.1 60.95 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.143 177.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.93 -26.84 67.78 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.654 0.782 . . . . 55.3 111.303 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -75.65 -4.99 43.26 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.174 0.99 . . . . 65.33 111.183 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.4 -26.72 6.13 Favored Glycine 0 C--N 1.35 1.338 0 N-CA-C 114.705 0.642 . . . . 74.42 114.705 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -68.3 -18.93 64.64 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 112.901 0.704 . . . . 73.42 112.901 -171.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.9 p -125.95 171.68 10.55 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.419 0.687 . . . . 75.11 109.252 164.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -69.64 99.54 1.32 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.815 0.846 . . . . 73.41 112.574 -162.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.484 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 10.1 pt-20 -58.93 -30.27 67.74 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.842 1.657 . . . . 74.41 113.27 -176.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -70.0 -16.87 63.24 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.369 0.668 . . . . 71.3 111.706 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 139.55 157.42 7.28 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-O 121.194 0.33 . . . . 74.11 113.022 170.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 20.2 mtp180 -115.06 143.22 45.53 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.259 1.424 . . . . 65.54 108.04 174.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -94.4 151.33 19.47 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.715 -0.476 . . . . 73.4 109.715 169.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.2 tt -148.65 125.2 11.03 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 106.665 -1.606 . . . . 73.14 106.665 170.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.532 ' HB2' ' HB3' ' A' ' 112' ' ' SER . 4.7 p-10 -96.66 131.38 43.38 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.25 -1.019 . . . . 70.53 108.25 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.55 122.99 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 108.871 -0.789 . . . . 73.0 108.871 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.89 122.73 78.2 Favored Pre-proline 0 C--O 1.241 0.606 0 N-CA-C 106.915 -1.513 . . . . 73.35 106.915 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -62.34 -25.26 76.32 Favored 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 122.554 2.17 . . . . 75.53 113.364 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 53.13 33.04 14.23 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 124.358 1.036 . . . . 72.43 112.3 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.658 ' HA3' ' SD ' ' A' ' 1' ' ' MET . . . 54.43 34.96 55.32 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 115.397 -0.819 . . . . 61.02 114.548 -173.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -74.3 158.75 33.46 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.045 0.45 . . . . 73.12 111.179 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -127.4 169.6 13.43 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.821 0.848 . . . . 73.22 108.859 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 65' ' ' GLN . . . -62.56 111.37 3.98 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 123.637 0.586 . . . . 64.35 111.766 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.46 -11.97 28.23 Favored Glycine 0 N--CA 1.471 1.017 0 CA-C-O 119.697 -0.502 . . . . 71.15 113.757 -176.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.2 -173.98 4.28 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 108.819 -0.808 . . . . 51.4 108.819 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -146.25 156.24 43.24 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.543 0.687 . . . . 60.24 111.477 174.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 28.6 m -134.08 166.6 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 114.7 -1.137 . . . . 64.13 109.748 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.41 110.87 20.01 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.931 0.493 . . . . 51.4 110.844 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.32 86.93 3.29 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 108.361 -0.977 . . . . 43.21 108.361 170.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 27.7 t70 -90.13 106.82 18.74 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.796 -0.816 . . . . 50.03 108.796 172.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.589 ' HB3' HG21 ' A' ' 180' ' ' ILE . 39.5 m-85 -73.32 -14.61 61.33 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.818 -1.083 . . . . 75.32 111.283 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.32 -21.41 61.99 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 123.333 0.653 . . . . 73.24 111.588 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 19' ' ' ILE . 3.2 mm? -72.18 -26.75 62.19 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 118.84 -0.6 . . . . 75.12 111.533 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.448 ' HB3' HH21 ' A' ' 132' ' ' ARG . . . -45.61 118.31 1.74 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.46 1.104 . . . . 75.12 113.609 -164.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -100.93 165.81 11.15 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 125.239 1.415 . . . . 72.11 109.938 -170.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -102.69 126.36 33.05 Favored Pre-proline 0 CA--C 1.551 0.999 0 CA-C-N 114.499 -1.228 . . . . 71.12 108.536 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.38 142.65 68.81 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.818 2.345 . . . . 71.12 112.681 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.473 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 68.4 m-85 -74.35 -3.93 33.3 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 113.558 0.947 . . . . 75.05 113.558 -172.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 49.3 t -68.02 -26.25 65.79 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.403 0.681 . . . . 71.43 111.007 167.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -81.76 -18.86 42.73 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.892 0.477 . . . . 74.22 112.029 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 33.1 m-85 -85.88 -11.09 54.15 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.027 0.531 . . . . 65.24 111.521 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.12 -17.87 0.05 OUTLIER Glycine 0 C--N 1.35 1.338 0 N-CA-C 114.758 0.663 . . . . 63.14 114.758 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 96.55 42.91 3.29 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 111.13 -0.788 . . . . 71.01 111.13 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 51.1 m -133.23 68.88 1.49 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.479 0.712 . . . . 63.15 109.563 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.23 152.69 0.11 Allowed 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 125.504 1.522 . . . . 54.41 109.003 176.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 39.5 m -114.77 96.26 5.64 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 107.708 -1.219 . . . . 74.31 107.708 172.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 15.8 p -89.69 141.47 28.58 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.904 -0.406 . . . . 71.52 109.904 -164.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.414 ' HB2' ' CE1' ' A' ' 85' ' ' TYR . . . -80.07 93.25 5.74 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.531 0.732 . . . . 54.12 109.642 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.561 HD11 HG23 ' A' ' 78' ' ' THR . 8.2 mp -60.29 125.58 82.04 Favored Pre-proline 0 N--CA 1.475 0.804 0 N-CA-C 108.874 -0.787 . . . . 63.53 108.874 175.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -65.86 150.89 85.48 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.214 1.943 . . . . 52.51 111.805 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -63.35 161.42 30.99 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.072 1.848 . . . . 74.21 111.196 170.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -52.08 -31.56 30.94 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.033 0.933 . . . . 73.53 112.725 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -69.21 -21.49 63.94 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.065 0.946 . . . . 74.44 112.549 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.18 28.87 1.77 Allowed 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.156 0.503 . . . . 75.2 111.209 -175.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -93.16 110.81 22.32 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.774 0.83 . . . . 71.2 108.974 168.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.6 127.52 84.14 Favored Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 108.279 -1.008 . . . . 75.12 108.279 173.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -78.61 46.0 2.03 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 123.099 2.533 . . . . 42.14 112.476 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -143.16 155.0 44.46 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 124.239 1.015 . . . . 70.4 109.247 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.99 110.54 21.51 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.317 0.647 . . . . 72.4 109.946 175.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.5 mp -106.8 85.2 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 106.324 -1.732 . . . . 64.21 106.324 177.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.94 83.04 8.19 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.392 -0.822 . . . . 64.42 110.321 -174.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -165.39 117.74 1.15 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.01 0.924 . . . . 64.14 108.989 175.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 51' ' ' TYR . . . 172.5 -162.41 34.21 Favored Glycine 0 C--O 1.238 0.402 0 N-CA-C 109.96 -1.256 . . . . 70.34 109.96 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . 0.421 ' HG3' ' HB2' ' A' ' 50' ' ' ARG . 41.0 tt0 -80.6 144.93 31.99 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.742 -0.836 . . . . 75.3 108.742 166.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -76.22 155.19 34.65 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.875 0.47 . . . . 74.33 110.941 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 7.8 t -108.82 127.3 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.926 0.89 . . . . 73.11 108.752 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -98.93 131.58 44.9 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.106 0.562 . . . . 70.05 110.579 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.45 37.59 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 114.975 1.472 . . . . 74.44 114.975 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.05 -30.57 34.78 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.472 0.309 . . . . 73.23 110.896 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.34 -69.13 0.53 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.141 0.576 . . . . 72.43 109.832 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 123.667 0.787 . . . . 65.2 108.969 178.912 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.618 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 46.1 tpp . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 106.061 -1.829 . . . . 65.34 106.061 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.541 ' H ' ' HG3' ' A' ' 1' ' ' MET . 5.1 p -61.59 -38.29 49.86 Favored Pre-proline 0 CA--C 1.567 1.632 0 CA-C-O 118.551 -0.738 . . . . 71.54 111.461 168.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.618 ' HD2' ' HB3' ' A' ' 1' ' ' MET . 1.9 Cg_endo -86.15 175.72 5.51 Favored 'Trans proline' 0 C--N 1.395 2.999 0 C-N-CA 121.82 1.68 . . . . 75.13 111.351 159.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.4 tt -70.93 140.58 86.18 Favored Pre-proline 0 CA--C 1.568 1.672 0 CA-C-N 115.834 -0.621 . . . . 44.14 110.269 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.56 127.98 9.21 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.599 2.199 . . . . 74.33 110.293 170.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mt -176.36 -51.09 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 125.99 1.716 . . . . 62.15 108.07 -170.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -80.83 22.53 0.78 Allowed 'Trans proline' 0 C--N 1.399 3.218 0 C-N-CA 122.206 1.937 . . . . 64.4 112.461 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.89 -28.43 44.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 C-N-CA 124.573 1.149 . . . . 65.31 111.32 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -79.2 91.58 4.99 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.576 0.75 . . . . 64.33 110.24 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -29.67 140.91 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.606 1.562 . . . . 71.44 113.924 168.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.0 t -49.76 138.37 14.71 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 123.743 0.652 . . . . 70.14 109.961 170.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -42.05 -37.86 1.5 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 125.019 1.328 . . . . 62.23 114.023 -169.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.66 -55.54 25.98 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.608 0.763 . . . . 74.42 110.499 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -67.33 -28.37 67.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.899 0.879 . . . . 74.43 111.496 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.516 ' O ' HG13 ' A' ' 19' ' ' ILE . 34.9 t90 -69.55 -50.66 42.67 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.182 0.993 . . . . 72.32 109.765 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.446 ' HA ' HD12 ' A' ' 19' ' ' ILE . 56.6 mtt180 -69.84 -28.1 65.4 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.069 -0.514 . . . . 74.34 110.84 177.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.23 96.4 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 118.898 -0.573 . . . . 64.2 111.077 168.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 29.2 mmt180 -58.15 -52.33 66.01 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 109.589 -0.522 . . . . 73.35 109.589 174.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 15' ' ' TRP . 13.1 mt -57.35 -53.99 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 124.329 1.018 . . . . 63.42 111.266 -176.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.79 86.97 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 124.359 1.037 . . . . 52.4 111.726 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.89 -34.12 68.9 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.039 0.535 . . . . 42.15 111.935 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -74.19 -33.68 63.5 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.309 0.644 . . . . 64.31 110.199 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -69.11 -45.42 70.26 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 123.541 0.736 . . . . 71.12 109.116 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.2 96.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.663 0.785 . . . . 73.31 110.568 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.66 -60.23 3.73 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.735 -1.121 . . . . 73.34 110.37 173.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.605 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 41.3 mmtm -70.15 -12.92 61.94 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.359 0.664 . . . . 64.34 112.645 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.565 ' HA ' HD23 ' A' ' 49' ' ' LEU . 26.3 t70 -71.4 -53.22 14.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.246 0.618 . . . . 75.44 110.381 170.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -82.89 -14.06 54.92 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.398 -0.364 . . . . 74.45 111.908 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -56.15 -59.82 4.38 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.411 1.085 . . . . 72.13 112.225 -175.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.35 -9.59 58.76 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.332 0.494 . . . . 74.33 112.332 -175.557 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.29 -48.94 6.2 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.43 0.692 . . . . 74.13 111.39 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.9 p -113.44 -55.5 2.51 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.61 0.764 . . . . 71.13 110.965 -169.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.419 ' HB3' ' NE2' ' A' ' 35' ' ' GLN . 29.0 m-70 -57.87 123.62 16.39 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 115.188 -0.915 . . . . 73.23 111.367 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.98 -8.57 38.37 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.683 1.193 . . . . 64.21 113.738 -172.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 33' ' ' HIS . 2.4 mp0 -67.68 -28.85 68.04 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.174 0.99 . . . . 53.31 112.299 -169.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 66.1 m -154.26 136.38 9.49 Favored Pre-proline 0 N--CA 1.48 1.026 0 N-CA-C 107.89 -1.152 . . . . 73.12 107.89 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -91.31 159.49 3.73 Favored 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 122.519 2.146 . . . . 54.54 112.28 173.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.545 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 15.4 tt -106.88 144.11 28.43 Favored Pre-proline 0 CA--C 1.554 1.115 0 N-CA-C 106.902 -1.518 . . . . 72.41 106.902 165.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -54.28 142.67 67.64 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 121.977 1.785 . . . . 75.24 112.319 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.38 -26.02 81.72 Favored 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 123.302 2.668 . . . . 75.22 113.443 -171.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.41 90.4 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.517 0.727 . . . . 53.05 110.872 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.81 -30.45 51.22 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.609 0.764 . . . . 73.45 110.475 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HB2' HG23 ' A' ' 38' ' ' ILE . 65.2 ttt180 -68.39 -32.52 72.65 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.292 0.637 . . . . 75.3 111.33 175.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.04 -44.47 45.33 Favored Glycine 0 C--N 1.348 1.216 0 N-CA-C 111.43 -0.668 . . . . 71.32 111.43 173.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.43 28.7 1.07 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.001 0.921 . . . . 62.32 111.735 175.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -77.32 101.13 6.16 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.148 0.499 . . . . 55.11 110.305 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -92.65 -50.18 5.73 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.648 -0.871 . . . . 75.22 108.648 168.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 174.12 178.65 44.2 Favored Glycine 0 C--O 1.244 0.767 0 CA-C-N 114.479 -1.237 . . . . 32.44 112.186 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 30' ' ' LEU . 4.4 mm? -99.36 158.82 15.45 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.094 0.558 . . . . 75.22 111.156 177.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -98.23 121.02 39.65 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.148 -0.933 . . . . 54.31 110.958 -166.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -126.9 146.3 50.35 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.726 -1.213 . . . . 75.11 107.726 168.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -101.15 175.03 5.73 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.535 0.734 . . . . 70.14 110.043 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.52 134.63 56.66 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.812 0.695 . . . . 75.13 110.791 -170.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.425 HG21 ' HG2' ' A' ' 16' ' ' ARG . 38.2 mm -67.58 133.81 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 C-N-CA 124.24 1.016 . . . . 74.41 110.905 -172.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -150.81 118.96 6.3 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.746 0.308 . . . . 74.01 111.204 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.89 -11.72 59.79 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.268 1.027 . . . . 70.42 113.169 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.0 m -79.01 -25.74 43.28 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 110.253 -0.277 . . . . 72.22 110.253 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -75.62 2.71 11.14 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.296 0.638 . . . . 64.14 112.464 172.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.54 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 32.9 ttm180 -91.37 108.17 19.7 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.134 -1.061 . . . . 53.1 108.134 171.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.5 m -100.37 145.5 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 N-CA-C 108.775 -0.824 . . . . 73.04 108.775 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.4 123.54 33.05 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.704 -1.221 . . . . 70.41 107.704 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.84 137.56 51.48 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.668 -0.493 . . . . 73.21 109.668 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.01 115.14 13.13 Favored 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.118 0.886 . . . . 74.01 108.811 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.448 ' HA ' HD13 ' A' ' 91' ' ' LEU . 35.6 t80 -81.91 113.65 19.98 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 123.962 0.905 . . . . 73.44 109.39 -176.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -113.96 104.59 54.94 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 107.94 -1.133 . . . . 52.01 107.94 170.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.5 151.5 79.8 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.141 1.894 . . . . 65.12 111.255 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.73 100.54 2.87 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.39 -1.337 . . . . 62.01 107.39 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -56.56 -20.03 18.71 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.041 0.936 . . . . 64.13 111.93 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -141.75 93.39 7.62 Favored Pre-proline 0 CA--C 1.551 0.995 0 N-CA-C 107.367 -1.345 . . . . 64.3 107.367 168.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.86 127.61 19.02 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.752 2.302 . . . . 75.55 111.922 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -132.39 153.81 50.42 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.262 0.625 . . . . 70.14 109.804 -173.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.99 135.17 36.83 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.598 0.759 . . . . 64.31 110.38 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 85' ' ' TYR . 5.1 m -132.88 164.23 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.034 1.334 . . . . 73.12 108.756 -177.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -108.38 130.18 55.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.254 0.622 . . . . 42.33 109.483 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -116.29 122.69 45.7 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.286 -1.375 . . . . 54.23 107.286 167.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HB2' HD12 ' A' ' 169' ' ' LEU . 46.1 mt-10 -64.58 156.81 28.73 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.783 0.433 . . . . 62.33 110.315 -176.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.0 p -119.68 151.78 38.19 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.42 0.555 . . . . 53.21 109.545 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.3 p -66.34 -25.99 67.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.39 0.676 . . . . 75.25 110.925 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -90.72 -7.89 51.32 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.555 0.742 . . . . 73.51 111.436 -175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.38 -119.02 1.71 Allowed Glycine 0 C--N 1.353 1.504 0 CA-C-O 118.754 -1.025 . . . . 70.4 113.08 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 13.1 Cg_endo -51.26 133.91 43.13 Favored 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 125.001 3.801 . . . . 64.24 113.78 -171.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 25.4 Cg_exo -63.72 141.45 79.09 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 123.029 2.486 . . . . 73.14 113.601 -176.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.18 117.17 24.83 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.854 1.262 . . . . 73.34 108.907 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.91 125.51 32.71 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.336 0.654 . . . . 73.35 110.594 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.508 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 70.0 m-85 -133.56 150.67 51.64 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.623 0.769 . . . . 73.25 109.392 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.3 m -89.37 130.64 35.71 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.561 -0.903 . . . . 71.42 108.561 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -74.95 115.92 15.1 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.751 0.705 . . . . 75.0 109.134 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.624 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -97.81 -35.9 10.37 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.927 0.891 . . . . 52.41 111.764 -176.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.18 170.02 21.56 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.98 0.512 . . . . 74.53 110.465 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.496 HG12 HG22 ' A' ' 101' ' ' THR . 7.6 t -136.79 112.07 11.1 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 N-CA-C 107.205 -1.406 . . . . 65.53 107.205 175.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 64' ' ' TYR . 3.5 mm? -93.4 127.57 39.07 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.076 0.95 . . . . 75.11 110.388 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -118.62 127.5 7.29 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-O 119.617 -0.546 . . . . 74.22 111.873 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -152.24 170.77 19.21 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 117.591 0.696 . . . . 74.43 110.268 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.555 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 6.0 p-10 -116.78 144.39 44.53 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.096 -0.705 . . . . 74.13 109.096 170.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.51 133.53 42.3 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 106.922 -1.51 . . . . 74.5 106.922 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.91 -104.77 0.71 Allowed Glycine 0 C--N 1.355 1.585 0 CA-C-O 121.008 0.227 . . . . 74.23 113.215 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -114.8 -7.04 12.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.612 0.765 . . . . 51.32 111.607 -175.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.441 ' HB2' ' HG3' ' A' ' 177' ' ' PRO . 68.6 m -137.21 155.46 49.49 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.692 0.758 . . . . 44.32 112.409 -173.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 6.3 p80 -105.13 138.11 41.84 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.884 -1.053 . . . . 74.14 110.406 -177.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -139.57 153.57 47.43 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.115 0.966 . . . . 72.3 109.782 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.496 HG22 HG12 ' A' ' 90' ' ' VAL . 10.4 m -128.3 116.12 19.34 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 114.995 -1.002 . . . . 73.54 108.668 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 mp -103.18 141.0 36.62 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.942 1.297 . . . . 71.54 109.433 -173.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 15.0 m -91.41 130.73 37.21 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 110.042 -0.355 . . . . 63.43 110.042 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.03 129.67 48.39 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.535 1.134 . . . . 75.43 109.513 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.508 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 65.7 m-85 -107.82 145.55 33.46 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.569 0.748 . . . . 72.1 110.921 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.624 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 52.1 ttt180 -91.51 121.05 32.86 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 125.378 1.471 . . . . 61.14 108.281 173.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.623 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 17.0 t -95.01 127.2 47.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 108.288 -1.005 . . . . 23.11 108.288 175.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -53.39 115.3 1.85 Allowed 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 124.36 1.064 . . . . 71.12 112.428 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 88.44 -7.27 82.19 Favored Glycine 0 N--CA 1.473 1.112 0 CA-C-N 115.774 -0.648 . . . . 70.43 113.511 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.623 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 13.7 tp10 -103.59 129.7 50.89 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.833 0.853 . . . . 74.41 109.729 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.6 m -70.9 -27.84 64.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.328 1.051 . . . . 60.14 112.569 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.7 m -90.42 141.86 28.31 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.385 0.674 . . . . 64.15 110.561 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.2 mt -81.21 144.84 31.31 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.095 0.958 . . . . 64.42 109.293 175.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -100.44 109.31 21.45 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.644 -1.243 . . . . 73.13 107.644 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.0 90.93 5.8 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 107.543 -1.28 . . . . 73.31 107.543 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.477 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 61.4 Cg_endo -72.81 132.6 18.77 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 121.972 1.781 . . . . 52.13 110.105 176.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -152.58 167.52 28.58 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.447 0.641 . . . . 71.21 111.666 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.456 HG23 ' HG3' ' A' ' 170' ' ' PRO . 15.1 p -134.27 149.41 50.92 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.01 -1.45 . . . . 64.34 109.553 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -112.56 -176.6 2.95 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.131 -1.063 . . . . 72.41 108.131 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 179' ' ' ALA . 28.2 mm-40 -63.37 -17.58 62.77 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 122.255 0.222 . . . . 74.33 111.048 167.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 76.8 p -54.94 -27.33 42.7 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.951 1.301 . . . . 75.14 112.408 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 71.4 p -70.69 -49.82 43.04 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.794 0.838 . . . . 73.1 110.642 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.59 -31.16 71.93 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.354 1.061 . . . . 73.45 110.886 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.38 -33.08 74.77 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.685 1.194 . . . . 64.04 111.842 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.07 -43.86 1.72 Allowed Glycine 0 C--N 1.349 1.258 0 CA-C-O 119.216 -0.769 . . . . 71.11 114.761 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -54.98 -45.97 75.07 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 124.112 0.965 . . . . 75.2 112.991 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 128' ' ' TYR . 1.3 m -89.23 -174.95 4.61 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 114.926 -1.034 . . . . 70.5 109.264 -174.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.464 ' H ' HG22 ' A' ' 127' ' ' THR . 26.3 p90 -46.77 143.84 2.63 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.332 1.053 . . . . 74.54 111.998 172.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -86.53 -51.13 6.36 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.93 0.492 . . . . 74.43 109.673 167.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.428 ' HE1' ' HB2' ' A' ' 159' ' ' CYS . 10.4 p-80 -70.12 -24.36 63.18 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.212 0.819 . . . . 72.3 113.212 -164.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.27 -177.02 16.88 Favored Glycine 0 C--N 1.34 0.781 0 CA-C-O 121.751 0.639 . . . . 34.24 113.446 -175.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.477 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 30.6 ptt180 -142.1 -176.29 4.75 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.143 -1.428 . . . . 65.12 107.143 172.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 94.4 m-85 -113.52 173.44 6.41 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 123.447 0.699 . . . . 75.4 110.512 173.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.458 HD22 HG22 ' A' ' 136' ' ' VAL . 1.6 tt -132.83 119.76 20.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.222 -2.14 . . . . 63.51 105.222 164.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -90.88 99.74 12.72 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.322 -1.362 . . . . 74.34 107.322 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.458 HG22 HD22 ' A' ' 134' ' ' LEU . 57.2 t -100.54 124.35 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 114.69 -1.141 . . . . 65.31 109.291 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -85.58 107.49 12.65 Favored Pre-proline 0 C--O 1.241 0.61 0 N-CA-C 105.975 -1.861 . . . . 74.42 105.975 171.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.22 -23.53 66.21 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.338 2.026 . . . . 72.4 112.346 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 52.18 36.17 18.56 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 124.405 1.082 . . . . 43.33 111.894 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 50.73 50.13 38.36 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.71 0.631 . . . . 63.13 114.378 -171.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -71.97 168.4 18.1 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.437 0.695 . . . . 71.21 112.041 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -143.96 170.05 16.66 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.972 0.509 . . . . 74.11 110.29 -174.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.8 115.26 6.59 Favored Glycine 0 C--N 1.354 1.535 0 C-N-CA 123.727 0.679 . . . . 74.24 113.639 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.69 -1.71 60.06 Favored Glycine 0 N--CA 1.467 0.766 0 O-C-N 123.818 0.363 . . . . 52.54 112.856 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -82.63 -172.75 4.24 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.47 -0.937 . . . . 74.42 108.47 169.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -144.03 155.01 43.84 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.176 0.512 . . . . 72.5 111.508 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 35.5 m -134.98 161.4 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.054 0.942 . . . . 74.15 109.764 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.23 108.32 14.77 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.479 0.712 . . . . 74.22 110.981 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.74 91.94 6.32 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 108.208 -1.034 . . . . 73.31 108.208 170.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.54 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 9.1 t0 -97.35 110.49 23.03 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.688 -0.687 . . . . 60.33 109.395 -175.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.431 ' HB3' HG21 ' A' ' 180' ' ' ILE . 17.4 m-85 -80.19 -18.33 49.93 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.488 0.715 . . . . 72.32 111.675 -177.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.607 ' HA ' ' HB1' ' A' ' 182' ' ' ALA . 28.5 t-20 -74.33 -36.01 63.65 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.435 -0.58 . . . . 53.11 109.435 173.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' A' ' 19' ' ' ILE . 8.7 mp -95.74 10.94 35.25 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 114.994 -1.003 . . . . 74.22 111.619 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -53.73 150.73 6.94 Favored 'General case' 0 C--O 1.243 0.715 0 O-C-N 124.017 0.823 . . . . 74.11 111.195 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.605 ' HE1' ' HE2' ' A' ' 26' ' ' LYS . 67.7 t80 -95.39 137.02 35.02 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 108.004 -1.11 . . . . 73.41 108.004 -172.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.627 ' HB3' ' HD2' ' A' ' 185' ' ' ARG . 45.3 m-80 -118.24 131.11 24.35 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 122.556 0.342 . . . . 74.52 111.245 -167.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 156' ' ' ASN . 10.7 Cg_exo -73.79 163.55 36.86 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 123.564 2.843 . . . . 73.23 112.596 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -86.15 -4.16 59.11 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.618 0.767 . . . . 64.24 112.723 -171.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . 0.428 ' HB2' ' HE1' ' A' ' 130' ' ' HIS . 15.5 m -62.0 -34.45 76.21 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.748 1.018 . . . . 73.53 113.748 -171.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.506 ' HB3' ' HG3' ' A' ' 185' ' ' ARG . . . -78.72 10.3 3.4 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 112.938 0.718 . . . . 65.51 112.938 -176.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -90.67 8.05 36.36 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 109.666 -0.494 . . . . 63.41 109.666 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.81 -40.08 2.54 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 111.281 -0.728 . . . . 63.25 111.281 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -66.15 148.64 51.02 Favored Glycine 0 C--N 1.349 1.268 0 N-CA-C 111.931 -0.468 . . . . 62.35 111.931 169.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 13.1 m -100.74 92.71 5.21 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.057 -1.09 . . . . 75.23 108.057 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -97.8 155.34 17.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.114 0.566 . . . . 51.2 110.563 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 33.2 p -76.97 132.1 38.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.224 0.61 . . . . 73.11 109.974 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 10.4 p -144.34 126.35 15.46 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.604 0.762 . . . . 73.02 109.375 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -68.87 113.02 5.92 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.802 0.841 . . . . 73.33 110.299 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 76' ' ' GLU . 97.4 mt -62.71 141.54 97.08 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.45 1.1 . . . . 73.31 110.868 178.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.456 ' HG3' HG23 ' A' ' 118' ' ' THR . 37.0 Cg_endo -64.81 148.47 90.03 Favored 'Trans proline' 0 C--N 1.368 1.573 0 C-N-CA 122.678 2.252 . . . . 75.11 112.447 175.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.77 148.41 22.16 Favored 'Trans proline' 0 C--N 1.371 1.747 0 C-N-CA 122.652 2.235 . . . . 73.24 111.912 162.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -43.05 -35.21 1.2 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.382 1.623 . . . . 74.33 115.382 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -92.99 -2.11 56.06 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.305 0.574 . . . . 70.33 111.884 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -85.66 16.84 3.64 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 121.795 0.807 . . . . 61.35 110.633 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -93.74 114.41 26.69 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.03 -1.1 . . . . 70.43 108.03 167.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 33.8 m -81.47 143.12 50.93 Favored Pre-proline 0 CA--C 1.553 1.062 0 N-CA-C 109.054 -0.721 . . . . 44.33 109.054 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.441 ' HG3' ' HB2' ' A' ' 98' ' ' SER . 44.9 Cg_endo -87.53 38.83 0.53 Allowed 'Trans proline' 0 C--N 1.372 1.775 0 C-N-CA 123.091 2.527 . . . . 74.35 112.112 -174.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -150.52 147.36 27.38 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 124.518 1.127 . . . . 64.44 108.722 -172.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 120' ' ' GLU . . . -90.94 124.18 35.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.762 -0.829 . . . . 72.0 108.762 175.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -113.58 92.15 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 107.435 -1.32 . . . . 54.02 107.435 178.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 22.7 p -84.9 80.55 9.24 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 122.028 0.918 . . . . 72.02 108.655 173.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 152' ' ' ASN . . . -126.48 -157.8 0.82 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 113.588 -1.642 . . . . 72.23 107.821 -177.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -57.0 103.38 0.28 Allowed Glycine 0 C--N 1.363 2.064 0 N-CA-C 109.551 -1.42 . . . . 62.23 109.551 167.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -128.13 157.09 41.7 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 125.114 1.366 . . . . 74.24 109.256 -169.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.627 ' HD2' ' HB3' ' A' ' 156' ' ' ASN . 2.4 tpm_? -99.65 121.5 41.31 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.739 -0.467 . . . . 63.01 109.739 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 2.6 p -167.38 155.17 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 C-N-CA 126.076 1.75 . . . . 72.24 107.594 -169.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . 0.42 ' HB2' HD23 ' A' ' 190' ' ' LEU . 30.4 m-20 -57.95 124.78 20.46 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.697 0.399 . . . . 75.25 110.83 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.65 -26.87 68.28 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 124.84 1.338 . . . . 30.2 112.0 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.73 -31.58 72.87 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.558 0.743 . . . . 70.3 111.902 175.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 187' ' ' ASP . 4.0 mm? -92.61 -56.97 2.82 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.788 0.835 . . . . 64.51 110.244 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 . . . . . 0 C--O 1.25 1.103 0 C-N-CA 124.351 1.06 . . . . 44.32 109.389 -176.055 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.856 -0.424 . . . . 55.13 109.856 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.462 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 33.2 t -74.42 -51.05 4.5 Favored Pre-proline 0 CA--C 1.562 1.413 0 CA-C-O 118.622 -0.704 . . . . 63.05 110.619 176.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 2' ' ' SER . 5.4 Cg_exo -78.54 159.85 28.66 Favored 'Trans proline' 0 C--N 1.395 3.02 0 C-N-CA 121.612 1.541 . . . . 73.24 111.039 171.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.61 142.65 96.71 Favored Pre-proline 0 N--CA 1.483 1.199 0 C-N-CA 123.193 0.597 . . . . 70.15 109.67 173.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.6 127.7 22.47 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 121.88 1.72 . . . . 71.42 110.757 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mt -177.46 -51.65 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.112 0 C-N-CA 125.932 1.693 . . . . 65.23 107.997 -171.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -83.19 33.84 0.53 Allowed 'Trans proline' 0 C--N 1.403 3.403 0 C-N-CA 122.043 1.828 . . . . 75.12 111.814 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 137' ' ' ASP . 33.4 m -61.48 -29.96 47.11 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 C-N-CA 123.902 0.881 . . . . 73.45 110.538 171.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 t -91.48 39.41 1.0 Allowed 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.303 1.041 . . . . 71.43 110.167 173.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 48.73 -158.88 0.06 Allowed 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.06 1.133 . . . . 65.54 114.06 -173.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -112.76 155.43 24.59 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.768 -1.567 . . . . 63.35 106.768 168.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -38.31 -47.46 1.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.875 1.806 . . . . 64.24 115.875 -165.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.11 -52.0 27.13 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.876 0.37 . . . . 71.53 110.925 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -63.76 -28.3 69.78 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.418 -0.81 . . . . 72.21 111.886 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.479 ' O ' HG13 ' A' ' 19' ' ' ILE . 19.8 t90 -72.22 -48.39 43.27 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.796 1.239 . . . . 74.15 109.991 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 mtm105 -63.08 -35.7 81.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.74 0.416 . . . . 63.33 110.567 174.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.15 93.31 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.703 0.401 . . . . 71.22 111.586 170.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 29.9 mmt180 -59.42 -51.04 71.59 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 123.479 0.487 . . . . 72.44 110.459 176.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.49 HG21 HD12 ' A' ' 54' ' ' ILE . 10.3 mt -61.37 -55.34 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 123.781 0.676 . . . . 62.25 110.132 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.97 -56.17 17.99 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.017 0.927 . . . . 73.34 111.587 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -52.98 58.36 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 123.557 0.536 . . . . 70.43 111.711 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -72.25 -34.05 67.96 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.3 0.64 . . . . 63.42 111.637 -171.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -85.91 -28.71 24.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.668 0.387 . . . . 73.3 110.846 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.04 68.94 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 120.891 0.377 . . . . 72.3 109.993 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.26 -45.25 94.12 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 115.509 -0.769 . . . . 73.35 109.642 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -66.05 -36.36 83.03 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.548 -0.751 . . . . 51.12 110.112 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.24 -44.85 94.04 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.081 0.953 . . . . 53.22 111.279 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.42 -22.34 38.29 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 119.32 -0.371 . . . . 64.4 111.212 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -51.03 -56.22 13.6 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.133 0.973 . . . . 73.22 112.848 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.67 -16.53 61.21 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.384 0.512 . . . . 42.41 112.384 -176.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.77 -40.97 15.49 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.952 0.501 . . . . 73.13 111.038 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.5 p -100.89 -56.71 2.26 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 123.224 0.61 . . . . 62.21 111.395 -174.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -66.81 143.9 56.62 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.319 0.581 . . . . 64.24 112.195 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -87.33 -9.36 55.09 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.724 -1.126 . . . . 34.44 111.045 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -62.31 -38.58 89.96 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.05 0.94 . . . . 73.13 112.123 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -154.82 71.89 5.89 Favored Pre-proline 0 N--CA 1.477 0.907 0 N-CA-C 107.61 -1.256 . . . . 62.11 107.61 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -86.27 165.08 9.71 Favored 'Trans proline' 0 C--N 1.368 1.592 0 C-N-CA 122.339 2.026 . . . . 71.11 112.713 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.411 HG13 ' HB2' ' A' ' 30' ' ' LEU . 47.9 mt -78.69 134.91 60.52 Favored Pre-proline 0 CA--C 1.549 0.917 0 N-CA-C 106.815 -1.55 . . . . 73.55 106.815 167.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -39.9 134.24 1.71 Allowed 'Trans proline' 0 C--N 1.387 2.602 0 C-N-CA 123.686 2.924 . . . . 74.43 113.169 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -45.07 -44.7 15.03 Favored 'Trans proline' 0 C--N 1.387 2.56 0 C-N-CA 124.37 3.38 . . . . 72.23 115.362 -164.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.48 -43.36 73.36 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.84 0.456 . . . . 73.05 111.041 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.13 -29.5 64.12 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.053 0.941 . . . . 75.23 111.146 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -68.34 -25.5 65.13 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.751 0.821 . . . . 65.52 111.108 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.81 -35.11 84.48 Favored Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.765 -0.652 . . . . 74.14 111.755 172.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.3 10.09 11.4 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.779 0.832 . . . . 72.31 112.815 176.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -78.53 112.1 15.24 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.959 0.409 . . . . 62.54 110.195 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.05 -34.3 10.13 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.726 0.81 . . . . 61.33 110.184 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.99 147.65 5.11 Favored Glycine 0 C--N 1.342 0.867 0 N-CA-C 110.369 -1.092 . . . . 52.1 110.369 -172.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 30' ' ' LEU . 65.8 mt -73.24 163.05 28.67 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.747 0.784 . . . . 64.52 111.91 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' HB3' ' HB3' ' A' ' 185' ' ' ARG . 2.0 mpt_? -88.72 117.92 28.04 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.494 -1.669 . . . . 72.5 106.494 176.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -127.44 150.39 49.67 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 122.837 0.455 . . . . 73.53 109.775 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -87.05 153.69 21.34 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 107.986 -1.116 . . . . 63.31 107.986 165.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -74.09 162.79 28.63 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 108.458 -0.942 . . . . 53.04 108.458 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.58 HG23 HD21 ' A' ' 152' ' ' ASN . 23.9 mm -63.56 112.89 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.199 0.599 . . . . 54.02 110.02 -170.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -103.88 126.81 51.27 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.009 0.523 . . . . 54.24 111.29 -170.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HA ' ' NH2' ' A' ' 59' ' ' ARG . . . -81.62 -32.86 31.76 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.994 0.917 . . . . 61.34 111.99 174.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.8 t -63.98 -32.28 73.76 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.189 0.996 . . . . 73.43 113.222 -166.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.449 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 64.3 m-85 -99.2 27.06 5.37 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.795 0.838 . . . . 74.25 112.075 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.478 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 30.0 ttm180 -97.75 93.71 6.53 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.855 -0.794 . . . . 74.22 108.855 171.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.3 m -100.24 166.62 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 109.501 -0.555 . . . . 74.55 109.501 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.03 122.46 45.25 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.464 -0.939 . . . . 73.11 108.464 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.7 138.65 47.99 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.449 0.7 . . . . 43.14 109.544 -172.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -74.54 125.76 29.32 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.555 -0.906 . . . . 74.15 108.555 175.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -89.89 126.78 35.84 Favored 'General case' 0 C--O 1.247 0.95 0 C-N-CA 124.294 1.038 . . . . 61.45 109.278 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -133.38 106.54 12.11 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.04 0.936 . . . . 75.14 109.003 172.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 74.1 Cg_endo -71.42 158.13 54.87 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.249 1.966 . . . . 72.45 111.229 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.64 103.56 12.24 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.095 -0.706 . . . . 63.21 109.095 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -67.77 -22.23 65.21 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.416 0.687 . . . . 72.44 110.51 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -121.27 82.7 38.66 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 124.518 1.127 . . . . 64.31 108.137 169.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.56 123.64 8.26 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 122.32 2.013 . . . . 70.2 112.207 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -125.12 154.43 41.46 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.714 0.806 . . . . 65.44 109.694 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 84' ' ' GLU . . . -85.46 128.25 34.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.849 -0.797 . . . . 73.13 108.849 174.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.48 152.09 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 108.494 -0.928 . . . . 71.31 108.494 175.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -95.87 121.16 37.32 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.431 -0.581 . . . . 72.44 109.431 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -118.68 118.39 31.5 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 106.822 -1.547 . . . . 74.43 106.822 170.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.2 153.4 18.43 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 109.673 -0.491 . . . . 65.35 109.673 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.9 p -107.1 152.52 23.93 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.638 -0.875 . . . . 73.32 108.638 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.0 p -68.85 -19.91 64.27 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.056 0.542 . . . . 74.02 111.294 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -82.67 -23.54 34.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.842 0.857 . . . . 71.11 111.374 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.85 -120.5 1.23 Allowed Glycine 0 C--N 1.351 1.403 0 CA-C-O 118.76 -1.022 . . . . 35.24 113.09 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -48.98 140.98 23.03 Favored 'Trans proline' 0 C--N 1.391 2.774 0 C-N-CA 124.966 3.777 . . . . 62.2 114.054 -170.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.98 161.63 43.35 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.75 2.3 . . . . 71.52 113.485 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.67 129.94 51.88 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 125.187 1.395 . . . . 74.51 108.983 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' HB3' ' HB1' ' A' ' 72' ' ' ALA . 39.6 mt-10 -88.58 126.39 35.26 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.159 0.583 . . . . 50.43 109.745 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.443 ' CD1' HD23 ' A' ' 75' ' ' LEU . 26.6 m-85 -122.76 134.42 54.44 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.257 -1.016 . . . . 71.02 108.257 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 90.2 m -84.18 138.8 32.8 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.336 -0.616 . . . . 73.32 109.336 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -72.58 109.91 6.58 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.121 -1.066 . . . . 72.34 108.121 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -84.3 -46.86 11.35 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.523 0.677 . . . . 74.01 109.971 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -155.28 166.97 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.441 -1.254 . . . . 61.23 109.938 -175.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.6 t -131.07 126.59 59.65 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 N-CA-C 107.126 -1.435 . . . . 72.42 107.126 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 104' ' ' ALA . 2.2 mm? -105.08 125.45 50.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.2 1.0 . . . . 55.34 110.086 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.06 122.61 6.79 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 110.564 -1.014 . . . . 74.11 110.564 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -142.9 -176.4 4.88 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.916 0.858 . . . . 72.04 110.3 -175.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -132.19 156.45 46.42 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.706 0.802 . . . . 53.41 109.317 174.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 tp -169.56 131.53 1.14 Allowed 'General case' 0 C--O 1.251 1.148 0 N-CA-C 108.73 -0.841 . . . . 74.21 108.73 -169.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.01 -102.86 1.2 Allowed Glycine 0 C--N 1.351 1.4 0 N-CA-C 112.106 -0.397 . . . . 34.03 112.106 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -124.46 -1.81 8.03 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.839 0.855 . . . . 74.45 110.401 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.1 m -130.01 157.18 43.06 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.977 0.894 . . . . 61.03 112.626 -168.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -94.89 119.77 34.0 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 114.032 -1.44 . . . . 72.31 108.264 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -118.97 155.98 30.4 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.61 0.764 . . . . 64.11 109.383 -172.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.4 m -128.11 131.37 49.02 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.019 0.528 . . . . 75.14 110.091 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 mp -121.55 132.02 54.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.104 1.361 . . . . 74.2 108.221 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.6 m -95.25 134.24 38.22 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.067 0.461 . . . . 73.33 110.19 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -98.53 121.87 41.02 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 124.416 1.086 . . . . 72.22 108.912 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -100.82 152.74 20.16 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.758 0.789 . . . . 72.24 112.061 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.436 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 42.0 ttt180 -95.37 118.58 32.36 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 125.781 1.632 . . . . 74.54 108.026 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.2 t -114.69 129.42 70.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 C-N-CA 124.242 1.017 . . . . 54.04 108.611 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -63.24 142.63 58.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.214 0.606 . . . . 65.31 110.807 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.18 -39.18 2.25 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-N 116.277 -0.42 . . . . 64.03 113.288 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -64.57 151.7 43.95 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.233 1.013 . . . . 71.24 110.525 176.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.7 t -109.54 -20.66 12.79 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.833 0.853 . . . . 72.52 109.469 -174.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.4 m -103.91 -179.15 3.87 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.193 0.997 . . . . 42.5 110.062 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.601 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 49.9 mt -102.95 134.89 45.63 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.459 -0.941 . . . . 71.44 108.459 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.48 108.14 20.08 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.09 -1.078 . . . . 73.51 108.09 -173.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 104' ' ' ALA . 61.5 t -109.47 101.73 47.01 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.307 0.643 . . . . 44.34 109.848 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -90.29 123.07 1.01 Allowed 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 123.355 2.703 . . . . 63.32 110.939 167.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.446 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 19.8 p90 -146.46 170.93 15.84 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.466 0.706 . . . . 71.42 109.686 177.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.23 163.43 28.6 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.144 0.497 . . . . 72.11 110.716 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.583 ' HB2' ' H ' ' A' ' 122' ' ' THR . 1.5 m-20 -112.8 -170.73 1.73 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.543 1.137 . . . . 75.44 110.009 -176.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -79.62 -39.84 30.64 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.629 -1.169 . . . . 62.34 108.659 152.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 m -51.16 -42.03 60.55 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.829 1.652 . . . . 74.52 111.876 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.583 ' H ' ' HB2' ' A' ' 119' ' ' ASP . 40.9 p -63.39 -43.76 96.66 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.153 -0.93 . . . . 62.34 111.056 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.6 -20.72 66.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.103 0.961 . . . . 64.55 112.414 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.472 ' HB2' ' HG2' ' A' ' 126' ' ' ARG . 43.0 m-20 -81.54 -8.89 59.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.12 0.568 . . . . 70.11 111.954 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.1 -16.46 28.07 Favored Glycine 0 C--N 1.352 1.451 0 N-CA-C 114.284 0.474 . . . . 52.42 114.284 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.472 ' HG2' ' HB2' ' A' ' 124' ' ' ASP . 26.2 ptt180 -63.35 -21.85 66.52 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.862 0.865 . . . . 71.34 111.862 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 185' ' ' ARG . 26.9 p -133.44 159.42 40.41 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.679 -0.86 . . . . 73.54 108.679 165.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.75 96.15 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 126.534 1.934 . . . . 64.11 114.553 177.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.454 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 11.7 pt-20 -70.26 -20.75 63.04 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.38 1.072 . . . . 71.22 112.373 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -78.61 -8.19 58.38 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.269 0.628 . . . . 72.5 111.9 176.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 141.52 155.45 6.47 Favored Glycine 0 C--N 1.341 0.832 0 CA-C-N 116.784 -0.189 . . . . 53.3 112.803 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -109.4 145.13 36.63 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.498 1.119 . . . . 75.34 108.28 169.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -111.59 162.94 14.62 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.662 0.385 . . . . 74.03 110.199 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.446 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 1.6 tt -157.72 141.98 16.14 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 107.304 -1.369 . . . . 53.43 107.304 170.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.27 132.68 46.68 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.035 -1.098 . . . . 74.24 108.035 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.403 ' HB ' ' HB2' ' A' ' 113' ' ' LEU . 77.3 t -114.91 122.73 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 109.257 -0.646 . . . . 73.23 109.257 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.479 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 29.4 t70 -78.07 111.76 20.58 Favored Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 108.595 -0.891 . . . . 61.32 108.595 174.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.79 -38.03 25.4 Favored 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 122.481 2.121 . . . . 65.52 112.682 -177.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 55.69 28.96 12.89 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.31 1.044 . . . . 74.4 112.914 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 57.26 44.26 93.4 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 114.056 0.382 . . . . 53.55 114.056 -169.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.07 160.65 28.9 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.667 0.387 . . . . 64.15 110.785 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -138.3 171.67 14.04 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.225 0.61 . . . . 74.51 109.439 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.18 112.58 3.71 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 123.776 0.673 . . . . 65.21 112.28 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 114.44 -17.89 18.33 Favored Glycine 0 N--CA 1.467 0.747 0 CA-C-O 119.659 -0.523 . . . . 65.12 112.794 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -74.71 -179.65 4.26 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 109.29 -0.633 . . . . 71.44 109.29 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -133.84 160.67 36.94 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.108 0.48 . . . . 74.11 110.483 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.64 148.73 28.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 C-N-CA 124.51 1.124 . . . . 55.13 108.245 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.95 112.46 18.36 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.873 -0.417 . . . . 41.21 109.873 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.8 mt -96.59 88.72 4.75 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 124.035 0.934 . . . . 75.13 108.532 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 45.6 t0 -94.9 111.09 22.91 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.75 -0.833 . . . . 73.14 108.75 177.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.506 ' HB3' HG21 ' A' ' 180' ' ' ILE . 44.3 m-85 -72.31 -14.53 61.77 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.972 0.909 . . . . 74.4 111.651 -177.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.58 HD21 HG23 ' A' ' 54' ' ' ILE . 29.8 t30 -57.55 -35.24 70.07 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.801 0.841 . . . . 71.11 111.182 171.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.452 HD11 HG12 ' A' ' 19' ' ' ILE . 3.9 mm? -83.36 10.82 7.79 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.621 0.768 . . . . 74.51 112.403 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -61.64 137.06 58.22 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 112.866 0.691 . . . . 63.51 112.866 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -102.02 177.95 4.75 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 124.716 1.206 . . . . 72.31 111.43 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -133.92 139.37 33.17 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-N 114.033 -1.44 . . . . 73.22 111.458 -162.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.49 138.15 17.17 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 122.782 2.322 . . . . 70.22 110.979 163.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.11 -2.91 46.56 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.852 0.861 . . . . 73.33 111.482 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 26.6 m -61.64 -36.73 81.6 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.774 1.23 . . . . 73.03 112.407 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.87 -9.99 25.14 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.44 1.096 . . . . 61.52 113.307 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -91.89 14.16 16.4 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.312 1.045 . . . . 74.13 111.999 -170.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 108.91 7.05 29.69 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 119.947 -0.363 . . . . 75.5 113.836 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -166.16 118.91 0.83 Allowed Glycine 0 C--N 1.341 0.807 0 N-CA-C 110.63 -0.988 . . . . 60.02 110.63 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 61.6 p -62.46 112.72 2.57 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.492 0.717 . . . . 73.5 112.761 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -92.87 -175.67 3.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.652 0.781 . . . . 62.43 109.462 170.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 23.2 t -90.23 93.39 9.33 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.677 -0.49 . . . . 70.13 109.677 -176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 18.6 p -124.27 135.57 53.5 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 108.283 -1.006 . . . . 75.2 108.283 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.08 119.7 17.68 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.905 0.882 . . . . 75.4 110.614 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.16 126.82 79.06 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.285 1.034 . . . . 62.03 109.365 171.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -63.02 144.88 93.79 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.449 2.099 . . . . 63.42 111.586 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.09 156.13 67.7 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 121.962 1.775 . . . . 75.03 111.457 174.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -55.39 -30.22 59.97 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.002 0.921 . . . . 71.53 113.156 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.17 -23.04 62.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.093 0.557 . . . . 74.11 111.728 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -100.43 11.38 39.57 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.173 0.511 . . . . 75.24 110.618 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -82.72 99.81 9.86 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 107.052 -1.462 . . . . 75.42 107.052 170.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.58 117.02 63.96 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 123.984 0.913 . . . . 62.54 109.895 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -70.53 64.16 2.25 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.995 2.464 . . . . 72.31 112.345 165.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -153.88 147.55 25.23 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 124.586 1.154 . . . . 74.03 108.282 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -94.79 109.77 21.7 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.73 -0.47 . . . . 64.24 109.73 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.4 mp -95.19 101.86 12.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 107.33 -1.359 . . . . 63.33 107.33 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 41.3 p -92.06 62.26 4.17 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.995 0.903 . . . . 74.51 109.359 176.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -164.79 116.39 1.21 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.218 -1.355 . . . . 73.51 107.35 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 169.65 -156.16 26.83 Favored Glycine 0 C--O 1.241 0.531 0 N-CA-C 109.93 -1.268 . . . . 63.32 109.93 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -88.22 140.79 29.12 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.844 -0.799 . . . . 72.13 108.844 155.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.45 ' HA ' HG22 ' A' ' 127' ' ' THR . 14.0 ttm180 -96.41 160.82 14.21 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.265 -1.013 . . . . 64.31 108.265 177.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.482 HG11 ' HG2' ' A' ' 191' ' ' GLU . 53.2 t -132.35 159.95 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 107.793 -1.188 . . . . 53.32 107.793 175.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -76.08 132.3 39.99 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.187 -0.672 . . . . 74.14 109.187 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -67.82 5.71 0.82 Allowed 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.919 0.888 . . . . 65.42 112.699 166.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -96.62 -41.15 8.67 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.967 0.907 . . . . 71.0 109.92 168.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.62 -53.9 14.1 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.733 0.813 . . . . 73.23 110.05 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . 0.482 ' HG2' HG11 ' A' ' 186' ' ' VAL . 5.6 mm-40 . . . . . 0 C--O 1.253 1.255 0 N-CA-C 108.681 -0.859 . . . . 52.11 108.681 171.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.46 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 107.256 -1.387 . . . . 75.1 107.256 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t -66.77 -45.14 55.17 Favored Pre-proline 0 CA--C 1.564 1.487 0 N-CA-C 109.439 -0.578 . . . . 71.42 109.439 165.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -69.36 159.42 53.79 Favored 'Trans proline' 0 C--N 1.395 2.993 0 C-N-CA 121.87 1.714 . . . . 64.21 111.137 158.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.7 tt -67.39 135.4 93.19 Favored Pre-proline 0 CA--C 1.566 1.578 0 C-N-CA 122.803 0.441 . . . . 65.04 110.649 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.525 ' HG3' ' HA ' ' A' ' 141' ' ' ALA . 98.6 Cg_endo -82.49 139.45 10.22 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 123.684 2.923 . . . . 70.53 111.021 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -178.01 -48.73 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.967 1.307 . . . . 63.02 108.153 -173.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -83.48 31.24 0.52 Allowed 'Trans proline' 0 C--N 1.396 3.03 0 C-N-CA 122.101 1.867 . . . . 71.21 111.893 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.5 m -61.7 -29.08 45.44 Favored 'Isoleucine or valine' 0 C--N 1.359 1.018 0 C-N-CA 124.256 1.022 . . . . 70.44 109.41 171.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 t -93.16 72.18 4.59 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 114.63 -1.168 . . . . 75.1 108.069 166.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -43.01 175.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 125.801 1.64 . . . . 72.31 114.585 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -49.8 139.49 13.12 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 118.505 -0.759 . . . . 72.4 109.919 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -45.52 -34.11 3.09 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 113.457 0.91 . . . . 71.01 113.457 -165.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.09 -57.52 12.49 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.604 0.761 . . . . 72.42 111.274 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -70.24 -33.96 72.27 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.533 0.733 . . . . 74.33 111.608 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -62.19 -53.92 48.33 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.07 0.948 . . . . 75.52 109.447 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HG2' HG21 ' A' ' 54' ' ' ILE . 55.9 mtt180 -69.61 -23.19 63.48 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.658 0.598 . . . . 74.51 111.755 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -43.96 77.04 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 122.884 0.473 . . . . 55.52 112.156 170.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 31.7 mmt180 -63.01 -41.27 99.52 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 109.56 -0.533 . . . . 75.12 109.56 175.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.839 HG23 HD11 ' A' ' 153' ' ' LEU . 85.8 mt -60.78 -44.13 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 124.615 1.166 . . . . 75.52 110.965 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.41 -43.27 93.04 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.339 0.656 . . . . 70.13 110.924 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.81 -34.7 75.95 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.715 0.634 . . . . 71.33 110.959 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 6.5 t-160 -62.38 -55.43 27.97 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.63 1.172 . . . . 73.2 110.164 176.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.417 ' HD2' HG22 ' A' ' 19' ' ' ILE . 49.0 mtp180 -61.12 -48.27 82.42 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.894 0.877 . . . . 75.32 109.871 -177.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.37 88.54 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 115.25 -0.887 . . . . 72.45 111.306 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.11 -48.4 81.86 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.016 0.822 . . . . 73.11 110.933 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 65.8 mmtt -71.66 -24.69 61.89 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.393 0.433 . . . . 73.44 111.601 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.622 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -73.0 -47.94 40.7 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.265 0.626 . . . . 71.24 111.262 172.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.42 ' HA ' ' HB3' ' A' ' 31' ' ' ALA . 13.1 pt-20 -80.38 -12.87 59.53 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.981 0.512 . . . . 71.21 111.478 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 33' ' ' HIS . 83.9 t80 -53.88 -51.63 63.07 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.889 0.876 . . . . 64.45 111.781 177.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.725 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -86.02 -15.85 40.09 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.851 -0.613 . . . . 53.24 112.453 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 28' ' ' GLU . . . -87.38 -56.91 3.15 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.026 0.53 . . . . 71.41 111.549 -171.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.8 t -116.61 -46.31 2.77 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.166 0.587 . . . . 72.12 111.452 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 29' ' ' PHE . 15.5 m170 -47.63 117.66 1.92 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.771 0.828 . . . . 72.24 111.489 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.1 -19.19 4.56 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.897 1.679 . . . . 72.11 114.054 -175.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -60.52 -34.99 74.91 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.174 0.99 . . . . 72.24 113.343 -175.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.585 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 50.1 m -159.43 103.15 1.5 Allowed Pre-proline 0 CA--C 1.547 0.86 0 N-CA-C 108.433 -0.951 . . . . 75.34 108.433 -174.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -74.89 145.76 32.3 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 122.204 1.936 . . . . 64.31 112.421 170.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 tt -88.55 140.65 29.96 Favored Pre-proline 0 CA--C 1.561 1.371 0 N-CA-C 108.639 -0.874 . . . . 75.53 108.639 173.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.39 147.6 56.12 Favored 'Trans proline' 0 C--N 1.383 2.369 0 C-N-CA 122.594 2.196 . . . . 71.51 112.489 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -61.27 -25.68 80.85 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.853 2.369 . . . . 72.24 112.744 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.85 -49.83 74.68 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.447 0.699 . . . . 54.45 111.105 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -77.51 -27.92 51.93 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.349 0.66 . . . . 54.51 110.422 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -64.35 -29.06 70.15 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.742 -0.663 . . . . 65.51 111.123 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.39 -38.65 91.33 Favored Glycine 0 C--N 1.348 1.245 0 N-CA-C 111.442 -0.663 . . . . 75.15 111.442 170.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.51 1.17 30.52 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.955 0.902 . . . . 52.5 112.841 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -78.96 104.35 9.54 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.468 0.651 . . . . 75.23 110.142 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -115.29 -0.0 13.34 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.448 -0.945 . . . . 75.32 108.448 164.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.14 139.14 4.37 Favored Glycine 0 C--N 1.339 0.712 0 N-CA-C 108.742 -1.743 . . . . 74.11 108.742 -166.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.646 HD21 HD21 ' A' ' 30' ' ' LEU . 2.2 mm? -82.36 179.7 7.71 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 109.142 -0.688 . . . . 61.23 109.142 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HG3' ' HA ' ' A' ' 186' ' ' VAL . 17.3 mmt180 -72.79 110.38 7.08 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.743 -1.206 . . . . 64.04 107.743 178.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -111.97 112.97 25.0 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.859 -1.163 . . . . 73.14 107.859 -171.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' HA ' ' H ' ' A' ' 184' ' ' GLU . 8.2 m-85 -74.38 125.72 29.12 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.089 -0.96 . . . . 73.04 109.356 -171.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' H ' ' HA2' ' A' ' 183' ' ' GLY . 14.2 t70 -90.78 166.65 12.99 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.15 -0.932 . . . . 73.43 110.352 -166.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.475 HD12 HG21 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -69.4 148.97 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 123.654 0.596 . . . . 75.45 110.553 -169.384 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -163.2 109.48 1.15 Allowed 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.76 0.662 . . . . 43.42 109.593 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.56 -22.84 62.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.482 0.713 . . . . 45.41 111.719 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -82.54 -35.68 27.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.289 0.636 . . . . 42.01 110.45 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -85.94 6.38 28.79 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.578 0.751 . . . . 74.45 111.228 173.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -97.13 100.72 12.2 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 106.108 -1.812 . . . . 72.12 106.108 166.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.1 m -101.36 167.75 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 108.984 -0.747 . . . . 74.14 108.984 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.75 115.42 30.11 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.764 -1.199 . . . . 72.12 107.764 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.32 146.59 34.1 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.651 0.78 . . . . 73.53 109.162 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -74.23 118.99 17.83 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.921 -0.77 . . . . 75.45 108.921 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -78.95 106.23 10.84 Favored 'General case' 0 C--O 1.25 1.101 0 N-CA-C 108.643 -0.873 . . . . 73.14 108.643 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -110.83 97.52 34.0 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 107.843 -1.169 . . . . 65.33 107.843 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.668 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 56.1 Cg_endo -66.67 154.67 73.61 Favored 'Trans proline' 0 C--N 1.362 1.257 0 C-N-CA 122.645 2.23 . . . . 70.51 111.477 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.56 112.49 5.39 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 106.69 -1.596 . . . . 61.53 106.69 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -61.47 -16.28 45.57 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.401 0.68 . . . . 64.22 111.865 -171.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -142.97 90.69 7.41 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 107.662 -1.236 . . . . 74.12 107.662 167.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -62.73 129.14 25.29 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.692 2.261 . . . . 64.41 112.012 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -138.84 160.01 40.75 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.464 0.305 . . . . 73.11 111.634 -168.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.37 108.07 5.29 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.202 -0.908 . . . . 71.53 111.279 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.4 m -106.51 153.68 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.061 0.945 . . . . 74.44 108.718 172.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.76 127.7 53.61 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.203 0.601 . . . . 73.43 109.522 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.421 HD23 ' HD1' ' A' ' 85' ' ' TYR . 2.6 mm? -110.65 118.23 35.63 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.174 -1.047 . . . . 74.1 108.174 174.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -68.26 150.99 47.59 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.776 -0.824 . . . . 64.24 108.776 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.5 p -127.7 167.32 16.61 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.145 -0.687 . . . . 73.54 109.145 -174.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.427 HG23 HD21 ' A' ' 169' ' ' LEU . 19.3 p -87.75 -27.9 22.07 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.645 0.778 . . . . 72.44 110.791 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -72.14 -31.92 66.43 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.914 0.886 . . . . 75.42 111.628 -175.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.58 -123.31 1.19 Allowed Glycine 0 C--N 1.347 1.16 0 CA-C-O 118.382 -1.232 . . . . 62.53 112.075 -174.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.96 149.69 77.45 Favored 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 123.72 2.947 . . . . 74.32 113.833 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.2 158.69 56.4 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.647 2.231 . . . . 74.32 112.72 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -114.05 124.86 53.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.14 0.976 . . . . 74.33 110.13 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -84.91 126.28 33.36 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.76 0.424 . . . . 75.22 110.915 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.537 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 81.0 m-85 -130.07 148.66 51.94 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.452 -0.944 . . . . 74.14 108.452 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.637 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 9.4 m -87.7 114.41 24.28 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 118.274 -0.869 . . . . 63.21 109.304 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -66.52 111.19 3.47 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 119.967 1.258 . . . . 73.22 109.222 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -97.09 -33.15 11.63 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.522 0.729 . . . . 63.51 111.328 -172.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.668 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -153.93 170.13 21.77 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.48 0.548 . . . . 75.32 112.48 -176.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.531 HG12 HG22 ' A' ' 101' ' ' THR . 0.2 OUTLIER -139.16 124.81 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 N-CA-C 106.298 -1.741 . . . . 72.4 106.298 168.576 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 101' ' ' THR . 2.7 mm? -100.83 121.1 41.12 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.305 0.642 . . . . 74.41 110.516 -173.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.17 117.44 5.87 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 111.679 -0.568 . . . . 71.44 111.679 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.657 ' HE2' ' HB2' ' A' ' 102' ' ' LEU . 48.1 p90 -144.54 -174.11 4.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.773 0.829 . . . . 73.55 109.206 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 9.1 p-10 -132.25 145.38 51.27 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.883 0.873 . . . . 74.12 109.497 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.512 HD13 HD11 ' A' ' 180' ' ' ILE . 29.1 mt -154.77 129.95 9.62 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.65 1.18 . . . . 74.42 108.907 178.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.07 -107.03 1.77 Allowed Glycine 0 C--N 1.348 1.244 0 O-C-N 123.248 0.343 . . . . 64.23 112.95 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -103.81 -17.96 14.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.096 0.959 . . . . 74.25 111.438 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.6 m -120.51 139.7 52.52 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.457 0.54 . . . . 44.43 112.457 -165.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 9.0 p80 -83.77 129.66 34.94 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 106.809 -1.552 . . . . 71.31 106.809 163.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -133.45 147.96 51.72 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.82 0.448 . . . . 65.23 109.811 -170.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.531 HG22 HG12 ' A' ' 90' ' ' VAL . 2.4 m -121.55 122.23 39.21 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 108.042 -1.096 . . . . 74.21 108.042 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.657 ' HB2' ' HE2' ' A' ' 93' ' ' PHE . 10.2 tp -112.31 127.56 56.03 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.056 0.942 . . . . 72.23 109.136 -165.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.9 m -84.82 122.83 29.71 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.287 0.494 . . . . 62.12 110.535 -170.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.569 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -103.01 123.4 46.55 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.685 1.194 . . . . 51.31 109.279 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 34.2 m-85 -99.16 171.16 8.18 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 123.653 0.781 . . . . 74.31 109.586 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.637 ' HB3' ' HB ' ' A' ' 86' ' ' THR . 33.0 ttm180 -117.96 125.75 51.01 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 124.41 1.084 . . . . 72.51 108.439 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.632 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 21.4 t -98.78 121.19 49.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 107.752 -1.203 . . . . 71.1 107.752 173.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.29 126.96 29.8 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 123.69 0.619 . . . . 71.1 110.316 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.3 -27.61 8.31 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 116.125 -0.489 . . . . 71.21 113.106 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.632 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 10.7 tp10 -96.78 122.76 40.09 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.333 0.653 . . . . 73.22 109.713 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.1 m -67.58 -17.53 64.66 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.178 0.991 . . . . 72.13 112.851 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.456 ' HB3' ' HB2' ' A' ' 135' ' ' ASP . 73.2 m -93.69 147.6 22.88 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.531 0.681 . . . . 52.01 111.417 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 78.9 mt -84.66 132.72 34.45 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.128 1.371 . . . . 75.25 109.974 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.37 112.63 23.1 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.037 -1.098 . . . . 74.3 108.037 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 104' ' ' ALA . 14.9 t -118.65 86.28 29.12 Favored Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 123.306 0.642 . . . . 64.43 109.437 177.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -75.54 122.57 7.02 Favored 'Trans proline' 0 C--N 1.367 1.545 0 C-N-CA 121.682 1.588 . . . . 75.21 109.01 166.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -140.64 172.96 11.97 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.618 0.367 . . . . 50.31 110.615 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.457 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.9 p -133.83 164.14 27.93 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.56 0.744 . . . . 74.41 109.62 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.455 ' HB3' HD13 ' A' ' 180' ' ' ILE . 1.2 p30 -151.62 -179.27 7.27 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.915 0.886 . . . . 74.12 110.382 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -66.35 -25.9 67.03 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.871 0.367 . . . . 71.34 110.722 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.535 HG21 ' HB ' ' A' ' 181' ' ' THR . 11.2 m -75.47 -28.01 59.08 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.31 1.044 . . . . 74.45 111.224 -176.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.63 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 73.0 p -68.35 -36.8 79.77 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 120.882 0.372 . . . . 65.4 110.133 175.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.81 -34.63 78.24 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.406 -0.815 . . . . 72.11 110.967 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.37 -15.24 58.2 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.219 0.608 . . . . 73.13 110.95 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.48 32.32 25.32 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 116.389 -0.369 . . . . 75.44 113.206 177.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.464 ' HB2' HG22 ' A' ' 121' ' ' THR . 34.2 mmt-85 -104.51 -45.46 4.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.04 -0.726 . . . . 74.52 109.04 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.2 p -101.83 163.42 12.26 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 108.216 -1.031 . . . . 44.12 108.216 161.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -72.99 126.49 30.06 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.421 0.288 . . . . 72.21 111.556 -168.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.63 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 10.2 pt-20 -64.67 -37.73 88.58 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 114.08 1.141 . . . . 55.12 114.08 -168.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -72.68 -9.93 59.2 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.661 0.385 . . . . 64.43 111.77 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.62 168.9 12.92 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 111.458 -0.657 . . . . 52.41 111.458 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -140.19 143.45 36.09 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.472 0.709 . . . . 63.22 109.107 167.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -91.56 137.4 32.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.834 0.454 . . . . 73.43 110.257 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.469 HD22 HG22 ' A' ' 136' ' ' VAL . 2.5 tt -133.61 119.26 19.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.469 -2.049 . . . . 63.34 105.469 168.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.534 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 3.4 p-10 -102.79 110.72 22.74 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.625 0.726 . . . . 72.52 109.261 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.469 HG22 HD22 ' A' ' 134' ' ' LEU . 39.3 t -95.75 134.01 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 114.638 -1.165 . . . . 73.33 110.258 -171.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.53 114.64 49.26 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 108.978 -0.749 . . . . 71.45 108.978 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.56 -34.73 8.93 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.355 2.037 . . . . 65.01 111.763 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 50.36 44.04 26.68 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.233 1.013 . . . . 45.35 112.236 -175.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.8 46.6 54.47 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 115.563 -0.744 . . . . 73.34 114.488 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.525 ' HA ' ' HG3' ' A' ' 5' ' ' PRO . . . -76.21 165.17 25.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.509 0.559 . . . . 72.31 112.509 177.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -141.12 169.83 16.87 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.39 0.676 . . . . 73.25 110.355 -174.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 66' ' ' PRO . . . -60.23 112.6 4.63 Favored Glycine 0 C--N 1.351 1.408 0 C-N-CA 124.0 0.809 . . . . 71.5 114.183 -173.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 99.73 3.67 56.04 Favored Glycine 0 C--N 1.339 0.701 0 O-C-N 124.17 0.571 . . . . 64.02 113.129 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -84.44 -175.46 5.8 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 108.829 -0.804 . . . . 73.25 108.829 166.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -137.7 150.59 47.45 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.306 0.574 . . . . 75.41 110.97 173.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.78 160.39 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.501 1.12 . . . . 74.41 109.286 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.9 114.93 20.84 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 123.04 0.536 . . . . 74.13 110.69 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.31 87.54 5.67 Favored 'General case' 0 C--O 1.246 0.902 0 C-N-CA 123.917 0.887 . . . . 74.31 109.113 170.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.536 ' HB3' HD23 ' A' ' 153' ' ' LEU . 4.3 m-20 -74.85 93.81 2.69 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.804 -1.089 . . . . 62.14 109.792 169.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.559 ' HB3' HG21 ' A' ' 180' ' ' ILE . 26.4 m-85 -71.86 -18.61 62.05 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.219 0.608 . . . . 75.12 110.843 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -75.63 -4.56 40.84 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.051 0.94 . . . . 71.14 111.32 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.839 HD11 HG23 ' A' ' 19' ' ' ILE . 4.1 mm? -105.55 5.06 31.06 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.093 0.957 . . . . 65.44 111.592 172.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -81.62 106.1 13.29 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.731 -0.47 . . . . 74.5 109.731 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -100.44 176.71 5.26 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.147 0.979 . . . . 74.31 110.162 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -94.9 151.99 39.33 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 122.977 0.511 . . . . 74.01 110.203 -174.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -59.47 149.07 84.09 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 123.296 2.664 . . . . 74.31 112.957 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -80.53 -18.45 48.44 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.488 -0.778 . . . . 73.31 111.325 -177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 43.6 t -59.35 -23.83 62.85 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.429 0.692 . . . . 73.13 111.323 172.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -56.28 -27.5 55.56 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 123.807 0.843 . . . . 74.11 112.269 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -85.55 19.12 2.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.302 0.641 . . . . 72.51 110.943 -172.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 102.92 -62.11 0.46 Allowed Glycine 0 C--N 1.348 1.215 0 O-C-N 122.282 -0.261 . . . . 71.13 112.78 163.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.55 30.37 2.31 Favored Glycine 0 N--CA 1.47 0.928 0 N-CA-C 113.66 0.224 . . . . 74.41 113.66 -175.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 18.7 t -81.46 -178.84 7.12 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 109.28 -0.637 . . . . 43.55 109.28 168.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -77.56 -174.16 3.27 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 113.23 0.826 . . . . 71.24 113.23 -170.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 93.6 p -67.43 146.15 54.31 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.657 1.183 . . . . 73.03 113.165 -167.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.9 p -118.64 125.29 49.43 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.825 -0.806 . . . . 64.11 108.825 173.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -69.51 106.41 2.98 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.76 0.824 . . . . 52.11 109.646 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.427 HD21 HG23 ' A' ' 78' ' ' THR . 89.7 mt -64.16 127.52 92.04 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.384 0.674 . . . . 74.41 109.547 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.457 ' HG3' HG23 ' A' ' 118' ' ' THR . 20.5 Cg_endo -59.64 140.3 93.04 Favored 'Trans proline' 0 C--N 1.373 1.848 0 C-N-CA 123.179 2.586 . . . . 53.44 112.562 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.42 162.5 23.76 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.046 1.831 . . . . 75.3 111.305 166.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -54.7 -30.68 56.48 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.401 0.68 . . . . 71.51 111.71 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.29 -22.24 66.88 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.619 1.168 . . . . 72.03 112.065 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.5 ' HA ' HD12 ' A' ' 102' ' ' LEU . 3.7 m-20 -102.36 6.02 40.09 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.58 0.752 . . . . 72.12 111.73 -177.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -84.93 102.16 12.91 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.199 -0.667 . . . . 65.41 109.199 171.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 32.3 t -76.49 126.77 85.79 Favored Pre-proline 0 CA--C 1.55 0.947 0 N-CA-C 108.729 -0.841 . . . . 74.12 108.729 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -81.61 32.07 0.52 Allowed 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.046 2.498 . . . . 71.22 112.93 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -134.25 151.88 51.52 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.285 1.034 . . . . 63.13 108.683 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.93 123.16 29.15 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.219 0.608 . . . . 44.31 109.929 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.3 mp -114.45 104.35 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 107.253 -1.388 . . . . 74.24 107.253 173.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . 0.535 ' HB ' HG21 ' A' ' 121' ' ' THR . 1.3 t -132.9 94.94 3.47 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.472 0.653 . . . . 61.12 110.423 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -152.2 115.04 4.61 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 106.599 -1.63 . . . . 73.51 106.599 165.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' A' ' 52' ' ' PHE . . . 167.69 -156.56 28.31 Favored Glycine 0 N--CA 1.446 -0.656 0 O-C-N 123.749 0.655 . . . . 71.23 111.786 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . 0.486 ' H ' ' HA ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -85.82 148.26 25.91 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 107.328 -1.36 . . . . 75.51 107.328 157.138 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -60.55 154.41 21.06 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.351 0.661 . . . . 74.54 109.744 172.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.404 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 99.1 t -101.82 138.91 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 107.723 -1.214 . . . . 75.12 107.723 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -44.05 107.04 0.08 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.934 1.294 . . . . 62.34 113.065 -170.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -58.73 -10.71 2.5 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.389 1.076 . . . . 63.11 113.25 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.39 -41.84 84.31 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.398 0.679 . . . . 63.23 110.334 169.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.14 -44.76 10.09 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.689 0.795 . . . . 73.01 110.513 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 . . . . . 0 C--O 1.249 1.069 0 C-N-CA 124.38 1.072 . . . . 63.12 110.206 177.229 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.567 ' HB2' ' HA3' ' A' ' 140' ' ' GLY . 27.0 ttt . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 109.345 -0.613 . . . . 72.02 109.345 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.474 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 31.0 m -73.78 -51.16 5.31 Favored Pre-proline 0 CA--C 1.562 1.43 0 CA-C-O 118.75 -0.643 . . . . 65.11 109.698 172.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 2' ' ' SER . 47.7 Cg_endo -95.5 -177.75 0.44 Allowed 'Trans proline' 0 C--N 1.398 3.167 0 C-N-CA 122.472 2.114 . . . . 73.55 110.457 159.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.437 HG13 ' HD2' ' A' ' 5' ' ' PRO . 2.8 tp -77.99 140.1 61.94 Favored Pre-proline 0 CA--C 1.562 1.43 0 N-CA-C 107.296 -1.372 . . . . 75.54 107.296 169.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 4' ' ' ILE . 57.0 Cg_endo -72.11 128.28 13.74 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 121.358 1.372 . . . . 73.21 110.882 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mt 179.6 -53.28 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 125.555 1.542 . . . . 64.01 107.85 -176.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -81.12 37.35 0.68 Allowed 'Trans proline' 0 C--N 1.405 3.531 0 C-N-CA 122.16 1.906 . . . . 62.12 112.423 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 137' ' ' ASP . 32.9 m -64.93 -32.21 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 N-CA-C 108.424 -0.954 . . . . 71.22 108.424 164.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -93.27 97.56 10.7 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 105.435 -2.061 . . . . 72.42 105.435 159.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -83.34 -164.23 0.86 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.664 -1.273 . . . . 65.34 111.475 -164.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t -48.03 122.86 5.52 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.726 1.21 . . . . 74.01 110.522 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.557 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 4.9 p-10 -56.71 -22.67 36.77 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 115.11 1.522 . . . . 65.23 115.11 -160.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -68.63 -50.45 51.26 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.22 0.464 . . . . 74.41 110.95 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.27 -23.59 51.17 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.132 0.573 . . . . 65.01 111.04 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' O ' HG13 ' A' ' 19' ' ' ILE . 27.7 t90 -69.92 -46.01 66.29 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 108.963 -0.754 . . . . 63.34 108.963 173.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -69.48 -30.95 68.95 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.037 0.535 . . . . 71.45 110.714 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.98 89.43 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.116 0.566 . . . . 70.43 110.771 168.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -64.69 -38.96 92.77 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 122.952 0.501 . . . . 63.4 110.724 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.575 HG12 HD11 ' A' ' 153' ' ' LEU . 27.9 mt -65.03 -49.95 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 109.493 -0.558 . . . . 62.22 109.493 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.45 94.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.679 -1.146 . . . . 71.2 111.24 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.89 50.9 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.49 0.716 . . . . 64.21 112.03 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -62.47 -47.47 83.89 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.574 0.75 . . . . 74.54 109.227 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -61.35 -45.27 95.09 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.852 0.72 . . . . 75.5 110.379 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.8 -42.05 88.17 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.706 0.629 . . . . 75.54 110.577 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.79 -50.53 66.4 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 124.299 0.999 . . . . 63.34 110.073 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HE2' ' HE1' ' A' ' 155' ' ' TYR . 16.0 mmmt -72.96 -17.74 61.44 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 123.518 0.511 . . . . 70.15 111.192 -174.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -80.73 -48.65 12.24 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.116 0.966 . . . . 63.34 109.929 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.74 -15.25 58.67 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.605 -0.725 . . . . 70.24 110.449 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -50.35 -53.47 28.75 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.188 1.395 . . . . 71.25 112.161 -176.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.695 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -82.52 -17.43 45.05 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.389 -0.823 . . . . 63.34 111.331 -174.279 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.05 -32.35 21.46 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.293 0.637 . . . . 72.04 111.424 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.1 p -126.57 -60.08 1.26 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.092 0.557 . . . . 75.52 111.704 -176.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -55.77 124.08 16.32 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 123.942 0.776 . . . . 72.3 111.21 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.29 -17.76 64.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.574 1.15 . . . . 73.54 113.082 -168.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.24 -27.5 69.39 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.503 0.927 . . . . 74.44 113.503 -171.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.2 m -155.9 76.01 4.84 Favored Pre-proline 0 N--CA 1.483 1.179 0 O-C-N 121.969 -0.457 . . . . 62.0 110.064 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -65.14 130.4 25.52 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.562 2.175 . . . . 73.31 112.725 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.695 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 17.3 tt -72.56 144.78 86.68 Favored Pre-proline 0 N--CA 1.488 1.465 0 C-N-CA 124.814 1.246 . . . . 62.33 109.406 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -36.87 124.77 0.42 Allowed 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 123.576 2.851 . . . . 73.14 113.906 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.53 -28.62 65.62 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.745 2.963 . . . . 73.11 114.271 -171.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.73 92.92 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.852 0.461 . . . . 74.41 111.0 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -76.51 -37.09 57.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.197 0.599 . . . . 62.42 109.923 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.501 ' HB2' HG23 ' A' ' 38' ' ' ILE . 76.3 ttt180 -64.19 -31.26 72.39 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.459 0.704 . . . . 72.22 111.706 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.3 -44.95 96.94 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 112.241 -0.344 . . . . 43.12 112.241 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.63 22.38 3.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.904 0.881 . . . . 73.3 112.009 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.31 124.96 29.79 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 109.436 -0.579 . . . . 72.11 109.436 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -124.53 -32.01 3.18 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.372 1.069 . . . . 64.41 108.66 166.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.26 117.8 0.84 Allowed Glycine 0 C--N 1.338 0.676 0 N-CA-C 108.773 -1.731 . . . . 60.41 108.773 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.78 -175.93 1.21 Allowed 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.653 0.74 . . . . 62.41 111.622 -174.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.489 ' HD3' ' H ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -101.04 153.53 19.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.205 -0.907 . . . . 74.1 110.326 -168.535 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -153.39 128.64 9.79 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.865 0.866 . . . . 65.24 109.034 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' HD2' ' H ' ' A' ' 183' ' ' GLY . 64.8 m-85 -58.9 153.63 16.88 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.418 0.687 . . . . 51.04 111.674 175.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -74.29 158.69 33.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.216 0.606 . . . . 62.21 111.205 -176.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.565 HD12 HG21 ' A' ' 19' ' ' ILE . 13.4 mm -71.28 114.56 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.273 -0.876 . . . . 74.53 110.482 -170.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -115.12 113.96 24.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.355 0.662 . . . . 70.23 109.229 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.57 -6.37 43.59 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.785 0.834 . . . . 74.43 110.878 171.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.5 m -65.87 -36.82 84.5 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.537 1.135 . . . . 63.24 111.294 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 89.9 m-85 -85.13 7.31 22.17 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.011 0.924 . . . . 74.41 112.39 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 55.8 ttp180 -96.93 93.3 6.55 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.344 -0.984 . . . . 74.24 108.344 178.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.01 161.54 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 109.593 -0.521 . . . . 74.13 109.593 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.33 127.77 46.55 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.157 -1.053 . . . . 74.14 108.157 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.52 137.99 52.19 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.138 0.975 . . . . 64.34 109.277 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 92' ' ' GLY . 8.5 ptp85 -75.25 125.17 28.41 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 109.416 -0.586 . . . . 72.22 109.416 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -85.96 127.85 34.72 Favored 'General case' 0 C--O 1.251 1.147 0 C-N-CA 124.572 1.149 . . . . 73.15 109.273 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 24.2 tt0 -132.99 109.81 12.91 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 108.418 -0.956 . . . . 73.22 108.418 169.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.68 149.74 83.79 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.105 1.87 . . . . 74.44 110.201 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 110.99 2.48 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.515 -0.55 . . . . 74.24 109.515 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -56.65 -23.17 39.59 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.829 0.852 . . . . 42.21 112.644 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -141.56 97.72 6.63 Favored Pre-proline 0 CA--C 1.547 0.838 0 N-CA-C 109.037 -0.727 . . . . 54.22 109.037 163.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -66.11 121.25 8.53 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.373 2.048 . . . . 71.31 111.012 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -129.23 145.33 51.36 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.472 0.709 . . . . 74.53 110.722 -172.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.28 108.38 15.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.608 0.763 . . . . 41.53 109.643 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 19.5 m -106.78 160.39 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.517 1.127 . . . . 61.11 109.712 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -108.19 113.15 26.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.228 0.611 . . . . 61.03 109.411 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -98.91 128.0 44.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.101 -1.444 . . . . 73.14 107.101 174.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -60.8 144.21 53.02 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.122 -0.696 . . . . 71.12 109.122 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.4 p -116.62 164.28 14.84 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 118.388 0.54 . . . . 72.05 110.459 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.1 p -82.0 -23.96 35.7 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.939 0.896 . . . . 44.22 110.701 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -73.1 -31.07 64.1 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.443 0.697 . . . . 70.43 111.796 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.58 -121.4 1.28 Allowed Glycine 0 C--N 1.342 0.881 0 CA-C-O 118.62 -1.1 . . . . 34.5 111.558 -173.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 12.6 Cg_endo -52.26 141.86 48.19 Favored 'Trans proline' 0 C--N 1.385 2.49 0 C-N-CA 124.144 3.229 . . . . 75.32 113.676 -175.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 29.3 Cg_exo -61.65 149.55 89.39 Favored 'Trans proline' 0 C--N 1.384 2.423 0 C-N-CA 123.001 2.468 . . . . 72.43 112.975 -178.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.97 138.3 43.39 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.327 1.051 . . . . 71.22 109.956 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 9.5 pt-20 -85.18 124.02 31.35 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.626 0.579 . . . . 72.42 110.312 177.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.512 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.4 m-85 -128.95 134.36 48.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.346 1.058 . . . . 75.45 108.985 174.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.5 m -85.04 129.85 34.72 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.204 -0.665 . . . . 71.45 109.204 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -68.28 110.18 3.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.964 0.505 . . . . 63.42 109.869 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.41 -50.93 8.87 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 123.419 0.688 . . . . 70.21 111.067 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.87 175.58 13.76 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 114.88 -1.054 . . . . 73.2 110.48 -172.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.3 t -135.98 124.01 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 125.751 1.62 . . . . 60.42 107.027 172.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.73 135.26 44.7 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.894 0.877 . . . . 74.25 109.709 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 63' ' ' ARG . . . -120.55 139.46 13.6 Favored Glycine 0 N--CA 1.469 0.856 0 N-CA-C 110.884 -0.886 . . . . 72.53 110.884 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.406 ' HE2' HD12 ' A' ' 95' ' ' LEU . 25.8 p90 -163.73 156.19 17.71 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.786 0.793 . . . . 72.12 110.117 -175.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -93.44 158.31 15.78 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 109.426 -0.583 . . . . 74.51 109.426 172.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.406 HD12 ' HE2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -163.65 132.03 3.72 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 106.254 -1.758 . . . . 74.13 106.254 178.655 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.92 -101.63 1.58 Allowed Glycine 0 C--N 1.351 1.376 0 N-CA-C 111.215 -0.754 . . . . 62.45 111.215 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -131.86 7.21 4.37 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.278 1.031 . . . . 55.13 109.488 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 m -131.84 151.68 51.52 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 121.194 0.521 . . . . 73.31 112.179 -163.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -90.64 138.53 31.5 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.106 -0.952 . . . . 72.32 109.024 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -137.12 137.58 39.41 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.639 1.175 . . . . 72.33 109.314 -171.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.4 m -129.11 121.87 28.7 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.106 0.562 . . . . 44.53 109.52 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.417 ' HA ' ' ND2' ' A' ' 174' ' ' ASN . 6.1 mp -113.44 143.65 44.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.101 1.36 . . . . 72.44 109.093 -176.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.7 m -97.22 132.48 42.94 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 121.057 0.456 . . . . 51.0 109.939 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.93 126.53 47.57 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.739 1.215 . . . . 60.51 108.763 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.512 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 52.0 m-85 -101.75 168.4 9.47 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 123.81 0.844 . . . . 41.5 109.627 175.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.463 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 39.4 ttm180 -113.09 117.55 32.28 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.47 1.108 . . . . 70.23 108.786 -172.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -103.58 108.4 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.811 -1.551 . . . . 74.52 106.811 171.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -72.06 150.25 44.11 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.035 0.445 . . . . 72.42 110.414 -177.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.75 -38.35 3.12 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 114.752 -1.113 . . . . 70.21 111.769 -167.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.57 124.57 35.84 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.899 1.28 . . . . 72.12 109.485 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.9 t -75.14 -13.38 60.46 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.11 0.964 . . . . 63.54 112.539 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.2 m -92.68 140.85 29.1 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.542 0.737 . . . . 70.2 109.758 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.486 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 64.8 mt -81.58 146.34 30.17 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.984 0.914 . . . . 74.54 109.661 177.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.84 103.25 13.42 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.103 0.961 . . . . 63.1 108.449 -176.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.72 100.53 14.65 Favored Pre-proline 0 N--CA 1.473 0.695 0 N-CA-C 109.218 -0.66 . . . . 74.31 109.218 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -88.33 132.39 2.64 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 123.004 2.469 . . . . 74.42 110.963 172.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -155.69 168.81 25.97 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.833 0.853 . . . . 74.24 110.049 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.8 p -131.71 167.1 20.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.055 0.942 . . . . 50.01 108.615 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 1.9 p30 -147.56 -167.95 2.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.638 0.775 . . . . 51.1 110.303 -177.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.69 -33.5 53.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.776 0.43 . . . . 72.24 111.217 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.2 m -69.98 -32.26 70.38 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 123.756 0.823 . . . . 72.5 110.291 -175.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.1 p -68.5 -35.04 76.95 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.674 0.79 . . . . 64.45 111.501 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.36 -37.25 82.68 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.417 0.687 . . . . 71.2 111.807 177.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.402 ' HB2' ' HG2' ' A' ' 126' ' ' ARG . 13.0 m-20 -67.54 -13.02 61.69 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.265 0.626 . . . . 73.3 111.968 178.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.63 18.83 80.03 Favored Glycine 0 C--N 1.344 0.981 0 O-C-N 123.271 0.357 . . . . 44.1 113.628 -176.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HG2' ' HB2' ' A' ' 124' ' ' ASP . 13.3 ptm180 -101.11 -20.53 15.29 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.283 0.633 . . . . 74.5 109.989 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 19.1 p -122.2 -179.29 4.12 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 109.011 -0.737 . . . . 73.03 109.011 159.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.05 101.9 0.74 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.597 1.159 . . . . 75.22 111.384 -162.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -63.75 -31.24 72.35 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.72 0.408 . . . . 63.23 111.537 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -75.22 -14.23 60.51 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.368 0.667 . . . . 71.24 111.718 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 133.33 153.15 7.05 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 112.031 -0.428 . . . . 61.51 112.031 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -116.48 140.59 49.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.22 -1.4 . . . . 65.42 107.22 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.584 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 97.3 m-85 -103.2 168.77 8.96 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 118.502 0.592 . . . . 71.54 110.446 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.459 HD13 HD22 ' A' ' 149' ' ' LEU . 0.8 OUTLIER -143.64 130.78 20.69 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 107.88 -1.156 . . . . 63.25 107.88 169.59 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -95.07 100.67 12.46 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 107.635 -1.246 . . . . 70.34 107.635 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.9 t -109.47 117.03 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 115.422 -0.808 . . . . 74.33 109.414 -169.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.461 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 30.7 t70 -80.22 118.44 72.41 Favored Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 108.179 -1.045 . . . . 71.2 108.179 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.486 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 41.5 Cg_endo -66.09 -32.91 42.54 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.22 1.947 . . . . 74.11 111.86 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.32 40.59 26.68 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.228 1.011 . . . . 74.34 112.069 -175.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.567 ' HA3' ' HB2' ' A' ' 1' ' ' MET . . . 51.98 43.91 55.84 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 116.137 -0.483 . . . . 75.42 114.197 -173.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.41 161.08 28.97 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.148 0.579 . . . . 53.32 111.773 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -129.62 166.53 19.56 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.867 1.267 . . . . 75.11 108.782 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 65' ' ' GLN . . . -60.35 114.56 6.6 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 111.725 -0.55 . . . . 63.15 111.725 177.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 115.85 -16.47 16.05 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-O 119.669 -0.517 . . . . 63.4 112.416 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -78.54 -174.39 3.81 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 117.514 0.657 . . . . 64.21 109.913 173.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -135.69 154.09 51.39 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.173 0.589 . . . . 73.43 110.105 173.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 20.4 m -137.54 153.53 28.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 C-N-CA 125.604 1.562 . . . . 73.11 107.403 173.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.55 129.02 34.26 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.504 0.322 . . . . 71.32 111.324 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.459 HD22 HD13 ' A' ' 134' ' ' LEU . 15.6 mt -104.67 87.43 2.68 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 124.455 1.102 . . . . 73.13 108.611 168.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.496 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 5.1 p30 -94.18 102.34 14.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.609 -1.178 . . . . 73.51 109.519 176.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.564 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 26.7 m-85 -70.52 -16.39 62.89 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 114.882 -1.054 . . . . 75.12 111.641 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.463 HD22 HD22 ' A' ' 153' ' ' LEU . 9.4 t30 -62.4 -38.45 89.7 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.136 0.575 . . . . 72.33 110.212 172.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.575 HD11 HG12 ' A' ' 19' ' ' ILE . 4.3 mm? -79.15 -6.23 56.03 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.049 0.94 . . . . 73.31 112.301 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -43.4 140.15 1.76 Allowed 'General case' 0 N--CA 1.48 1.036 0 O-C-N 124.879 1.362 . . . . 43.33 113.522 -171.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.584 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 88.4 t80 -96.2 138.66 33.48 Favored 'General case' 0 C--O 1.25 1.11 0 CA-C-N 115.192 -0.913 . . . . 73.35 109.27 -170.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -98.27 121.45 56.95 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 113.868 -1.514 . . . . 73.24 110.824 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . 0.448 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 47.4 Cg_endo -67.34 137.98 45.11 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.378 2.052 . . . . 70.34 110.372 164.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -80.59 -3.19 49.41 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.384 0.673 . . . . 74.22 112.639 -174.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 157' ' ' PRO . 25.6 p -62.44 -30.99 71.63 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 123.879 0.737 . . . . 61.04 110.075 169.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.7 ' HA ' ' HB2' ' A' ' 191' ' ' GLU . . . -66.8 -23.73 66.09 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 123.982 0.913 . . . . 65.24 112.549 177.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -92.45 1.62 57.14 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.282 1.033 . . . . 61.42 111.206 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.56 -32.71 6.69 Favored Glycine 0 C--N 1.353 1.512 0 N-CA-C 112.445 -0.262 . . . . 54.43 112.445 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -62.42 116.05 8.84 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 111.48 -0.648 . . . . 63.34 111.48 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 19.8 m -96.01 79.48 3.24 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.462 0.649 . . . . 71.41 109.359 -166.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -114.15 178.47 4.27 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 115.312 -0.858 . . . . 73.23 110.34 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 36.3 p -69.98 103.64 2.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.724 0.809 . . . . 72.03 111.976 -173.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 24.5 t -111.48 114.39 27.46 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.776 -1.194 . . . . 64.51 107.776 169.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.23 106.05 4.9 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.817 0.847 . . . . 73.35 109.817 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 57.8 mt -57.91 128.91 81.58 Favored Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 124.398 1.079 . . . . 74.22 109.837 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.92 158.36 57.69 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.878 2.386 . . . . 63.44 112.931 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -62.73 148.73 93.02 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.639 2.226 . . . . 71.3 112.234 167.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -57.05 -29.19 63.21 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.78 1.232 . . . . 71.01 113.191 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.29 -22.46 64.72 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.406 0.682 . . . . 73.35 111.341 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 102' ' ' LEU . 10.1 m120 -95.45 18.79 11.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.563 0.697 . . . . 53.4 110.347 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -86.72 109.01 18.93 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 107.316 -1.364 . . . . 72.1 107.316 169.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 58.1 t -87.47 112.31 47.42 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 124.685 1.194 . . . . 72.2 108.755 176.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -65.99 71.62 0.37 Allowed 'Trans proline' 0 C--N 1.371 1.758 0 C-N-CA 122.609 2.206 . . . . 73.01 112.414 166.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -155.21 148.77 25.22 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.338 1.455 . . . . 44.21 108.225 175.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -87.6 114.35 24.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.241 0.616 . . . . 74.3 109.645 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 151' ' ' PHE . 2.9 mp -107.06 96.15 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 N-CA-C 108.244 -1.021 . . . . 74.01 108.244 174.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 24.3 p -97.14 79.05 2.8 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.667 0.787 . . . . 62.21 109.961 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -163.22 116.39 1.57 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.388 1.075 . . . . 31.21 108.465 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.409 ' H ' ' HD2' ' A' ' 52' ' ' PHE . . . 168.32 -159.29 32.42 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 112.065 -0.414 . . . . 44.14 112.065 176.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.53 143.55 57.58 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.864 0.865 . . . . 63.4 108.668 156.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.409 ' HD2' ' HG3' ' A' ' 50' ' ' ARG . 44.2 mtt180 -81.39 129.12 34.5 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 108.087 -1.079 . . . . 64.13 108.087 174.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.9 151.14 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.547 0.739 . . . . 75.42 109.658 -165.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . 0.543 ' HB2' ' HB2' ' A' ' 190' ' ' LEU . 10.1 m-20 -113.46 142.03 46.4 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.423 1.089 . . . . 73.44 109.968 -176.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -69.53 -19.94 63.7 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 121.089 0.471 . . . . 74.53 110.535 164.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.63 -46.15 66.85 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.523 1.129 . . . . 71.53 110.606 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.543 ' HB2' ' HB2' ' A' ' 187' ' ' ASP . 4.2 mm? -82.15 -45.74 14.74 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 114.765 -1.107 . . . . 75.0 110.21 -176.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . 0.7 ' HB2' ' HA ' ' A' ' 160' ' ' ALA . 16.7 tp10 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 113.478 -1.692 . . . . 63.21 110.15 -163.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.29 -0.633 . . . . 73.24 109.29 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -42.15 77.44 Favored Pre-proline 0 CA--C 1.565 1.549 0 C-N-CA 122.846 0.458 . . . . 64.54 110.646 171.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -70.02 147.73 61.83 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 121.521 1.481 . . . . 73.33 112.091 156.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 tt -70.56 143.14 89.71 Favored Pre-proline 0 CA--C 1.57 1.748 0 C-N-CA 123.479 0.712 . . . . 52.41 109.421 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -77.83 126.47 8.06 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.188 1.926 . . . . 70.54 110.051 170.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -177.34 -54.94 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 126.384 1.873 . . . . 74.13 107.538 -171.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -84.52 35.98 0.56 Allowed 'Trans proline' 0 C--N 1.393 2.918 0 C-N-CA 122.285 1.99 . . . . 64.12 112.142 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 m -73.15 67.15 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 CA-C-O 123.877 1.799 . . . . 72.24 110.262 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t 171.52 103.69 0.01 OUTLIER 'General case' 0 C--O 1.241 0.655 0 CA-C-N 110.321 -3.127 . . . . 73.02 108.104 -173.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -40.91 148.04 0.11 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.792 0.837 . . . . 74.15 112.693 161.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 t -45.68 138.42 4.64 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 123.856 0.862 . . . . 74.12 110.183 171.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -49.78 -30.85 10.33 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 115.921 1.823 . . . . 63.44 115.921 -157.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -73.94 -43.33 58.64 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.695 0.398 . . . . 74.13 110.261 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -30.94 68.95 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.685 0.794 . . . . 54.3 110.965 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.555 ' O ' HG13 ' A' ' 19' ' ' ILE . 39.4 t90 -67.65 -50.21 59.03 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.753 0.821 . . . . 63.12 109.415 176.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.5 ttp85 -63.26 -35.87 81.78 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.921 0.488 . . . . 74.33 110.228 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.64 88.26 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.677 0.791 . . . . 53.1 111.248 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -66.34 -32.75 74.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.576 0.75 . . . . 75.42 111.208 174.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.65 HG12 HD11 ' A' ' 153' ' ' LEU . 46.4 mt -73.76 -43.34 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 122.571 0.348 . . . . 74.2 110.674 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.17 -32.95 74.9 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.781 0.676 . . . . 73.44 110.655 173.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.01 -36.28 69.66 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.261 0.624 . . . . 74.33 111.109 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.437 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 8.1 m80 -71.82 -32.4 67.53 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.383 0.673 . . . . 62.31 110.172 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -67.34 -50.53 59.6 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.852 -0.796 . . . . 64.23 108.852 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.21 91.05 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.647 1.217 . . . . 74.44 111.063 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.44 -58.99 5.86 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.488 1.115 . . . . 74.11 111.441 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 63.5 mmtt -61.28 -43.1 99.43 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.197 0.311 . . . . 62.23 110.235 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -50.41 -55.26 16.57 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.638 1.175 . . . . 64.22 111.293 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -77.52 -27.61 51.76 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.527 -0.76 . . . . 75.1 111.229 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -56.91 -69.43 0.16 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 124.024 0.93 . . . . 75.12 111.2 -173.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.551 HD21 HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.22 -10.18 59.5 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.191 0.441 . . . . 75.05 112.191 -177.572 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.46 -26.81 26.09 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 122.747 0.419 . . . . 64.3 111.206 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -113.52 -53.01 2.73 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 112.535 0.569 . . . . 61.23 112.535 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 135.87 57.79 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.471 0.708 . . . . 74.04 111.794 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.55 -16.95 37.74 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.538 0.94 . . . . 72.41 113.538 -173.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -69.92 -30.91 68.43 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 112.604 0.594 . . . . 72.12 112.604 -172.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.3 m -157.21 68.12 4.17 Favored Pre-proline 0 N--CA 1.486 1.372 0 N-CA-C 108.156 -1.053 . . . . 62.3 108.156 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -90.18 169.35 4.24 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 123.405 2.737 . . . . 64.02 113.264 -176.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.4 HD11 HD23 ' A' ' 30' ' ' LEU . 42.6 mt -73.01 135.86 80.02 Favored Pre-proline 0 CA--C 1.554 1.1 0 N-CA-C 108.482 -0.933 . . . . 74.13 108.482 169.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.482 ' HG3' ' HE1' ' A' ' 165' ' ' PHE . 21.3 Cg_exo -63.64 146.4 92.39 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.145 1.896 . . . . 74.12 111.242 172.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.511 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 21.0 Cg_endo -55.92 -22.58 38.78 Favored 'Trans proline' 0 C--N 1.383 2.387 0 C-N-CA 124.113 3.209 . . . . 74.42 115.437 -167.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.41 81.85 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.458 0.703 . . . . 55.21 112.562 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -89.87 -29.35 18.63 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.915 0.486 . . . . 72.22 110.544 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.511 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 48.8 ttt180 -66.19 -31.23 71.94 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.679 0.792 . . . . 44.2 111.85 -177.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.13 -41.84 78.9 Favored Glycine 0 C--N 1.347 1.186 0 N-CA-C 111.848 -0.501 . . . . 74.32 111.848 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.51 22.02 2.34 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.937 0.895 . . . . 51.25 112.19 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -82.8 113.16 20.25 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.186 0.594 . . . . 75.33 109.787 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -113.61 -11.43 13.0 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.243 0.617 . . . . 75.14 110.56 172.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.03 132.24 1.73 Allowed Glycine 0 C--N 1.344 0.985 0 N-CA-C 111.422 -0.671 . . . . 73.3 111.422 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.551 HD11 HD21 ' A' ' 30' ' ' LEU . 29.1 mt -62.6 140.9 58.68 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.828 0.37 . . . . 74.21 110.435 173.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.42 ' HB2' ' HA ' ' A' ' 184' ' ' GLU . 6.5 mmt180 -72.67 140.81 48.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.226 -0.897 . . . . 73.51 108.749 -169.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -142.89 142.2 31.7 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.712 -0.477 . . . . 72.25 109.712 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -88.24 169.0 12.24 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 108.335 -0.987 . . . . 73.4 108.335 169.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.9 137.96 52.06 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.565 -0.902 . . . . 74.0 108.565 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.412 HG13 HG21 ' A' ' 19' ' ' ILE . 2.3 mp -60.13 124.74 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 124.396 1.06 . . . . 74.32 109.906 -172.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -131.76 125.0 30.87 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.221 0.608 . . . . 74.23 110.12 -174.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.42 -19.22 50.52 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.129 0.972 . . . . 74.23 112.757 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 t -74.47 -23.47 58.88 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.884 0.474 . . . . 74.15 110.554 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 47.8 m-85 -74.39 -0.1 16.19 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 112.395 0.516 . . . . 74.11 112.395 172.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 41.1 ttp180 -98.0 104.69 16.74 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.923 0.783 . . . . 61.42 109.465 171.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.5 m -100.68 151.74 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 109.869 -0.419 . . . . 65.11 109.869 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.85 117.86 28.14 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.204 -1.036 . . . . 22.52 108.204 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -112.26 128.65 56.32 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.615 0.766 . . . . 64.51 110.279 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -77.08 115.39 16.83 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.524 -0.917 . . . . 73.33 108.524 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -79.12 112.61 16.5 Favored 'General case' 0 C--O 1.254 1.298 0 C-N-CA 124.217 1.007 . . . . 71.4 109.447 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -112.47 104.03 55.75 Favored Pre-proline 0 CA--C 1.543 0.687 0 N-CA-C 107.965 -1.124 . . . . 73.5 107.965 172.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.91 137.48 81.18 Favored 'Trans proline' 0 C--N 1.372 1.776 0 C-N-CA 122.552 2.168 . . . . 73.44 111.171 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.57 98.57 0.52 Allowed 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.309 -0.997 . . . . 72.13 108.309 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -52.86 -32.99 47.75 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.957 1.303 . . . . 75.44 110.655 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -109.97 91.79 11.66 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.691 1.197 . . . . 74.42 109.153 169.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -83.23 120.72 2.96 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.019 1.813 . . . . 74.13 111.108 174.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.575 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 15.1 pt-20 -137.85 151.05 47.68 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.73 0.412 . . . . 70.01 110.783 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.565 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -80.72 109.57 15.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.817 0.847 . . . . 63.04 108.996 173.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 34.9 m -104.99 157.62 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.818 0.847 . . . . 70.35 109.845 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -98.42 109.41 22.17 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.655 0.782 . . . . 74.34 109.66 -176.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 85' ' ' TYR . 1.4 mm? -102.64 117.54 34.9 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 106.85 -1.537 . . . . 71.45 106.85 174.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.13 160.8 14.6 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.039 0.536 . . . . 74.3 110.392 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.2 p -125.79 154.68 42.23 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.634 -0.506 . . . . 65.21 109.634 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.485 HG23 HD21 ' A' ' 169' ' ' LEU . 23.8 p -68.64 -30.05 68.67 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 115.725 -0.67 . . . . 50.45 109.756 175.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -75.46 -18.27 59.91 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.854 1.262 . . . . 62.31 112.062 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 142.55 -120.03 1.51 Allowed Glycine 0 C--N 1.353 1.485 0 CA-C-O 119.036 -0.869 . . . . 62.15 113.524 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -58.78 146.62 92.0 Favored 'Trans proline' 0 C--N 1.385 2.451 0 C-N-CA 123.846 3.031 . . . . 53.55 113.77 -171.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.55 164.9 32.59 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.914 2.409 . . . . 64.14 113.444 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.87 140.33 53.09 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.907 0.883 . . . . 63.12 110.247 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.565 ' HB2' ' HB1' ' A' ' 72' ' ' ALA . 9.4 pt-20 -84.05 122.03 28.23 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.073 0.549 . . . . 74.23 110.859 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.563 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 20.0 m-85 -124.92 133.89 52.87 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 108.273 -1.01 . . . . 62.53 108.273 173.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.7 m -79.41 146.85 32.58 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.087 -0.709 . . . . 75.23 109.087 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.575 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 24.3 mtm180 -80.97 109.39 15.5 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.342 0.519 . . . . 75.13 110.088 175.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.634 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -83.11 -51.76 7.23 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.639 0.775 . . . . 70.53 111.092 178.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.7 176.37 11.6 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.075 -0.966 . . . . 72.22 111.146 -169.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.3 t -134.96 117.05 21.45 Favored 'Isoleucine or valine' 0 C--O 1.248 1.026 0 N-CA-C 106.104 -1.813 . . . . 75.23 106.104 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.536 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.1 mm? -89.67 116.38 27.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.671 0.789 . . . . 74.32 109.492 178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.14 120.03 6.22 Favored Glycine 0 C--N 1.341 0.838 0 N-CA-C 110.048 -1.221 . . . . 51.11 110.048 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.428 ' HE1' ' HG ' ' A' ' 102' ' ' LEU . 26.8 p90 -150.09 -174.67 4.79 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.228 0.611 . . . . 74.33 109.363 -171.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -129.17 152.46 48.73 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.077 0.551 . . . . 73.32 109.623 170.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.528 HD23 HG11 ' A' ' 176' ' ' VAL . 33.3 tp -167.96 140.33 3.08 Favored 'General case' 0 C--O 1.252 1.197 0 N-CA-C 108.016 -1.105 . . . . 75.35 108.016 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.34 -101.92 1.54 Allowed Glycine 0 C--N 1.343 0.953 0 N-CA-C 110.889 -0.884 . . . . 43.21 110.889 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -133.62 3.51 3.56 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.399 1.08 . . . . 71.51 109.609 170.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.7 m -112.73 134.19 54.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.624 0.369 . . . . 61.11 111.547 -171.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -85.71 110.53 19.38 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 106.657 -1.609 . . . . 64.1 106.657 166.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -128.68 157.84 40.24 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.807 0.443 . . . . 74.12 109.906 -166.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.0 p -117.89 144.19 45.65 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.984 0.514 . . . . 70.32 110.536 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.428 ' HG ' ' HE1' ' A' ' 93' ' ' PHE . 88.8 mt -122.44 128.98 51.57 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.017 -1.105 . . . . 63.41 108.017 169.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.6 m -80.61 128.51 33.69 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.191 -0.67 . . . . 72.02 109.191 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.87 124.31 37.8 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.065 -1.087 . . . . 73.32 108.065 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.563 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 60.9 m-85 -101.53 135.51 42.92 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.05 0.54 . . . . 71.35 110.674 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.634 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 43.1 ttm180 -91.24 130.18 37.14 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.044 -1.095 . . . . 75.0 108.044 175.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 47.2 t -110.48 128.46 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 108.153 -1.054 . . . . 42.15 108.153 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.82 133.07 55.75 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.477 0.711 . . . . 75.45 110.486 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 84.67 -38.43 2.93 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-N 116.404 -0.362 . . . . 75.34 113.418 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.547 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 11.5 tp10 -85.96 119.59 26.43 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.772 0.829 . . . . 51.2 110.055 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.1 m -71.12 -24.73 62.34 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.866 0.866 . . . . 72.41 112.013 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 m -89.58 151.66 21.81 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.971 0.508 . . . . 61.41 110.624 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 75.8 mt -91.19 132.64 35.96 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.943 0.897 . . . . 73.45 110.002 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -91.78 104.35 16.81 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 107.368 -1.345 . . . . 64.2 107.368 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.9 t -102.34 95.13 5.53 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 108.077 -1.083 . . . . 63.34 108.077 176.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -82.82 132.01 6.33 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.316 2.011 . . . . 51.15 110.385 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 132' ' ' ARG . 29.2 p90 -153.08 159.79 42.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.361 0.6 . . . . 74.21 110.919 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.1 p -121.15 161.05 22.5 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.58 -1.191 . . . . 65.31 107.918 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 4.8 p-10 -150.99 -167.66 2.88 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.788 0.835 . . . . 54.55 109.067 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -68.06 -36.64 80.21 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.015 0.371 . . . . 75.42 111.494 -175.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.9 m -69.63 -27.71 65.29 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.453 0.701 . . . . 74.24 110.609 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' A' ' 127' ' ' THR . 27.0 p -81.95 -39.15 24.12 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 116.017 -0.538 . . . . 72.4 110.523 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.47 -32.15 68.48 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.417 0.687 . . . . 61.22 111.269 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.76 -24.57 60.97 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.732 0.813 . . . . 73.31 111.444 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.556 ' HA2' ' HB2' ' A' ' 129' ' ' GLU . . . 82.17 3.85 90.42 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 116.33 1.292 . . . . 73.41 116.33 -177.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -92.57 -7.49 46.99 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 118.225 1.012 . . . . 73.24 112.198 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' ' 122' ' ' THR . 85.3 m -147.94 129.3 14.8 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 118.131 -0.938 . . . . 71.2 108.944 171.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 33.0 54.09 0.39 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 126.111 1.764 . . . . 74.33 114.502 171.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.556 ' HB2' ' HA2' ' A' ' 125' ' ' GLY . 18.7 tt0 -55.07 -51.77 65.31 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.28 1.032 . . . . 74.11 113.054 -170.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -71.0 -8.63 54.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.619 0.768 . . . . 72.31 112.42 -175.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.01 148.1 4.67 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.806 -0.918 . . . . 43.43 110.806 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 14.8 ttm-85 -119.22 158.5 25.87 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 106.256 -1.757 . . . . 74.54 106.256 173.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -117.42 169.73 9.28 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.429 0.633 . . . . 71.31 109.94 170.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.494 HD13 HD22 ' A' ' 149' ' ' LEU . 2.9 tt -144.29 122.37 12.14 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 105.986 -1.857 . . . . 43.24 105.986 165.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.418 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 7.2 p-10 -89.47 110.5 21.32 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 107.699 -1.223 . . . . 72.11 107.699 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.5 t -101.8 127.52 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 108.921 -0.77 . . . . 62.34 108.921 -177.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -81.88 112.08 31.99 Favored Pre-proline 0 C--O 1.241 0.632 0 N-CA-C 106.205 -1.776 . . . . 71.52 106.205 171.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -58.74 -29.6 90.12 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.644 2.229 . . . . 74.35 112.769 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 50.36 37.16 14.66 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.587 1.155 . . . . 62.42 111.814 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.71 45.06 55.08 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-N 115.241 -0.891 . . . . 72.01 114.435 -173.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -79.53 146.57 32.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.6 0.36 . . . . 60.1 110.688 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -129.29 -169.14 2.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.197 0.999 . . . . 73.44 109.947 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.66 99.03 0.23 Allowed Glycine 0 C--N 1.357 1.703 0 O-C-N 123.835 0.71 . . . . 72.25 113.872 -172.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 101.38 8.65 46.27 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-O 119.734 -0.481 . . . . 65.45 113.634 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -80.91 172.56 13.59 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 107.069 -1.456 . . . . 52.44 107.069 161.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -137.66 156.33 48.16 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.7 0.762 . . . . 74.33 111.001 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.24 172.82 15.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 114.503 -1.226 . . . . 62.43 109.041 -174.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.85 118.37 31.35 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 122.796 0.438 . . . . 73.23 110.424 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.494 HD22 HD13 ' A' ' 134' ' ' LEU . 14.3 mt -93.43 85.2 4.88 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 106.925 -1.509 . . . . 72.24 106.925 164.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 12.9 t0 -90.63 102.01 14.76 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.93 -1.032 . . . . 73.35 108.331 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 21.2 m-85 -73.55 -17.61 61.18 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.865 0.866 . . . . 73.21 111.327 -177.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.432 ' ND2' HD13 ' A' ' 19' ' ' ILE . 6.3 t30 -71.33 -25.65 62.49 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.078 0.551 . . . . 64.42 109.912 173.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.65 HD11 HG12 ' A' ' 19' ' ' ILE . 3.1 mm? -106.54 19.2 20.86 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.871 0.868 . . . . 70.41 112.008 174.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.94 148.91 7.02 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.264 0.626 . . . . 52.54 112.309 171.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -100.1 162.08 13.2 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.741 0.816 . . . . 73.01 109.478 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -121.52 133.32 24.2 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 124.402 1.081 . . . . 75.23 112.158 -164.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -78.98 146.74 20.62 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.663 2.242 . . . . 72.14 112.106 168.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.438 ' HE1' HD12 ' A' ' 30' ' ' LEU . 85.1 m-85 -81.03 -6.23 58.55 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 112.697 0.628 . . . . 74.0 112.697 -177.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 48.7 t -69.07 -33.9 74.29 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.138 0.575 . . . . 50.23 109.534 168.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.404 ' HA ' ' HB3' ' A' ' 191' ' ' GLU . . . -82.48 11.23 5.86 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.459 1.104 . . . . 64.13 112.535 -175.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . 0.425 ' CE2' ' HG ' ' A' ' 30' ' ' LEU . 35.2 m-85 -101.66 12.29 37.42 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.796 0.838 . . . . 73.31 111.422 173.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 79.46 49.29 6.28 Favored Glycine 0 C--N 1.349 1.263 0 N-CA-C 111.4 -0.68 . . . . 74.04 111.4 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -160.5 172.58 36.92 Favored Glycine 0 C--N 1.343 0.93 0 CA-C-N 115.275 -0.462 . . . . 61.0 112.231 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 24.5 p -105.39 68.01 0.79 Allowed 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.993 0.902 . . . . 72.42 109.045 -173.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.482 ' HE1' ' HG3' ' A' ' 39' ' ' PRO . 71.9 m-85 -105.89 157.42 17.5 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.754 -1.112 . . . . 74.22 110.334 176.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.7 p -75.4 127.51 33.3 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.783 -1.099 . . . . 53.33 110.986 -174.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 26.1 p -134.85 123.93 24.26 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.188 -1.041 . . . . 73.2 108.188 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -68.07 99.34 0.86 Allowed 'General case' 0 C--O 1.244 0.764 0 N-CA-C 108.8 -0.815 . . . . 62.32 108.8 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.485 HD21 HG23 ' A' ' 78' ' ' THR . 82.1 mt -59.51 123.31 70.13 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.364 1.065 . . . . 74.13 110.096 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.71 142.83 78.47 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.398 2.065 . . . . 74.52 111.725 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.66 157.11 48.88 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.063 1.842 . . . . 61.31 111.456 168.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.6 66.68 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.979 0.912 . . . . 63.51 112.5 -176.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.16 -15.4 61.96 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.955 0.902 . . . . 64.3 111.227 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -96.69 28.62 3.33 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.909 0.883 . . . . 70.42 110.28 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -103.45 109.07 20.58 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.673 -0.492 . . . . 74.22 109.673 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.528 HG11 HD23 ' A' ' 95' ' ' LEU . 39.1 t -83.94 125.91 71.7 Favored Pre-proline 0 CA--C 1.547 0.836 0 N-CA-C 108.306 -0.998 . . . . 71.33 108.306 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -77.94 66.37 8.21 Favored 'Trans proline' 0 CA--C 1.555 1.572 0 C-N-CA 122.585 2.19 . . . . 73.21 111.899 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.507 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -152.0 149.51 28.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.138 0.975 . . . . 62.0 109.732 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.11 108.64 20.01 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.838 0.455 . . . . 70.41 110.375 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' A' ' 151' ' ' PHE . 2.4 mp -98.28 96.54 5.24 Favored 'Isoleucine or valine' 0 C--O 1.244 0.797 0 N-CA-C 108.022 -1.103 . . . . 64.11 108.022 178.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 61.3 p -94.99 76.27 3.53 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.516 -0.765 . . . . 63.51 111.053 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -161.54 115.51 1.95 Allowed 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.896 -1.047 . . . . 72.01 108.203 172.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 168.66 -158.17 30.69 Favored Glycine 0 C--O 1.243 0.706 0 N-CA-C 109.981 -1.247 . . . . 51.12 109.981 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 50' ' ' ARG . 1.3 mp0 -78.86 141.93 37.27 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 108.46 -0.941 . . . . 72.13 108.46 153.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 137.21 37.04 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.499 -1.297 . . . . 71.2 107.499 166.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 44.0 t -131.2 163.05 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 107.871 -1.159 . . . . 74.12 107.871 -168.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 191' ' ' GLU . 45.2 m-20 -115.32 130.86 57.03 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.803 0.441 . . . . 52.35 109.906 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.51 -12.66 16.06 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 124.203 0.939 . . . . 62.45 111.665 166.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.11 -35.02 37.41 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.478 1.111 . . . . 64.51 110.828 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 187' ' ' ASP . 4.3 mm? -93.7 -53.51 4.0 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.048 0.939 . . . . 70.24 111.995 -170.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 187' ' ' ASP . 15.8 pt-20 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.614 -0.707 . . . . 74.41 112.475 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HA ' ' HA3' ' A' ' 140' ' ' GLY . 1.2 mpt? . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 108.579 -0.897 . . . . 72.22 108.579 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.8 t -72.23 -47.95 10.37 Favored Pre-proline 0 CA--C 1.557 1.242 0 CA-C-O 119.049 -0.5 . . . . 74.51 109.907 170.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.26 141.24 38.82 Favored 'Trans proline' 0 C--N 1.388 2.636 0 CA-C-N 120.623 1.258 . . . . 63.32 110.661 164.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.8 mt -67.69 136.48 92.69 Favored Pre-proline 0 N--CA 1.473 0.722 0 C-N-CA 123.858 0.863 . . . . 55.4 110.359 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.56 ' HG3' ' HB2' ' A' ' 141' ' ' ALA . 52.9 Cg_endo -69.59 127.39 14.66 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 122.574 2.183 . . . . 72.32 110.602 178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -177.18 -56.25 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.41 0 C-N-CA 125.498 1.519 . . . . 74.13 108.479 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -89.44 25.58 0.59 Allowed 'Trans proline' 0 C--N 1.398 3.134 0 C-N-CA 122.265 1.977 . . . . 71.51 111.853 174.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.7 -19.07 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.799 0.84 . . . . 72.33 111.284 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 t -83.42 79.66 9.34 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 106.455 -1.683 . . . . 70.15 106.455 157.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 2.2 t0 -33.22 163.36 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 127.493 2.317 . . . . 74.13 116.072 -175.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -55.08 132.15 46.63 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.303 -0.862 . . . . 74.3 109.004 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -40.94 -37.16 0.75 Allowed 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 115.493 1.664 . . . . 73.14 115.493 -162.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.06 -59.11 5.24 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.533 0.733 . . . . 63.31 110.571 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -72.84 -22.99 60.71 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 114.989 -1.005 . . . . 52.51 111.081 -178.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.44 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 46.0 t90 -67.52 -47.71 69.13 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.338 1.055 . . . . 73.02 109.852 174.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.484 ' HA ' HD12 ' A' ' 19' ' ' ILE . 21.6 ttt180 -67.35 -27.93 67.54 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.564 -0.744 . . . . 74.42 109.807 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.9 78.1 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 122.999 0.52 . . . . 50.34 112.325 168.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 26.8 mmt180 -60.46 -46.2 90.93 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 109.528 -0.545 . . . . 62.22 109.528 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.583 HG12 ' HG ' ' A' ' 153' ' ' LEU . 73.6 mt -57.06 -53.48 42.68 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-N 114.318 -1.31 . . . . 71.33 109.892 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.96 75.55 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.033 0.833 . . . . 34.45 111.844 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.38 -50.87 62.05 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.273 0.629 . . . . 70.44 111.262 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -63.8 -47.56 80.38 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.047 0.539 . . . . 63.4 111.497 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -47.95 -58.38 4.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.661 1.585 . . . . 63.42 111.285 172.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.01 -34.82 71.71 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.881 0.738 . . . . 61.51 111.763 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.47 -52.78 63.11 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.345 0.658 . . . . 75.42 110.924 174.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -72.58 -20.53 61.29 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.718 -0.674 . . . . 75.25 111.064 -177.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.62 -47.58 59.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.283 1.033 . . . . 75.02 110.074 172.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -85.71 -12.69 50.52 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.879 -0.601 . . . . 65.54 112.259 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.499 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 81.0 t80 -56.29 -42.32 77.35 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.175 0.59 . . . . 51.31 112.356 -177.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.695 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -90.15 -16.31 29.81 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.457 0.54 . . . . 63.45 112.457 177.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -58.73 2.44 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.892 0.477 . . . . 42.14 111.487 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -91.73 -59.14 2.2 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.817 0.847 . . . . 74.13 110.746 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 80.3 m80 -55.3 122.83 12.0 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 123.658 0.783 . . . . 61.34 111.488 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -72.48 -6.11 41.48 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.352 1.061 . . . . 71.33 112.267 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -59.26 -29.29 67.45 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.241 1.016 . . . . 73.4 112.625 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -157.42 77.05 3.88 Favored Pre-proline 0 CA--C 1.553 1.062 0 N-CA-C 108.984 -0.747 . . . . 75.13 108.984 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.16 124.49 14.47 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.541 2.161 . . . . 75.24 112.047 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.695 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 17.2 tt -72.72 140.28 81.21 Favored Pre-proline 0 CA--C 1.556 1.194 0 CA-C-O 118.511 -0.757 . . . . 73.43 109.695 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -54.66 145.63 58.58 Favored 'Trans proline' 0 C--N 1.388 2.653 0 C-N-CA 122.806 2.337 . . . . 74.21 112.047 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -54.63 -24.91 39.1 Favored 'Trans proline' 0 C--N 1.384 2.404 0 C-N-CA 123.822 3.015 . . . . 72.33 113.885 -174.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.87 -50.7 72.35 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.53 0.732 . . . . 70.43 111.215 176.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -90.2 -21.9 21.95 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.778 -0.646 . . . . 74.45 111.373 -175.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -60.03 -40.58 89.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.015 0.526 . . . . 75.41 110.055 166.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.26 -41.94 58.45 Favored Glycine 0 C--N 1.347 1.189 0 CA-C-N 115.737 -0.665 . . . . 33.42 112.183 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.0 18.38 2.52 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.853 0.861 . . . . 60.21 112.732 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -74.4 101.54 4.13 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.789 0.836 . . . . 73.32 109.779 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -121.92 -27.6 4.59 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.793 0.837 . . . . 53.4 109.568 170.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.2 125.8 0.86 Allowed Glycine 0 C--N 1.342 0.892 0 N-CA-C 110.087 -1.205 . . . . 61.34 110.087 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.442 ' HG ' HD21 ' A' ' 30' ' ' LEU . 4.1 mm? -85.31 -175.27 5.63 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.506 0.723 . . . . 65.54 111.508 -174.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.643 ' HB2' HD21 ' A' ' 156' ' ' ASN . 9.6 mmm-85 -88.0 114.33 24.51 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.193 0.52 . . . . 71.41 111.129 -165.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -163.49 135.46 5.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.663 1.585 . . . . 72.24 107.871 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.469 ' HA ' ' HB2' ' A' ' 184' ' ' GLU . 69.8 m-85 -75.72 159.66 30.86 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.147 0.579 . . . . 75.15 111.204 -173.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -75.02 158.21 33.58 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.735 -0.666 . . . . 73.35 110.35 -174.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.12 134.4 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.936 0.894 . . . . 63.52 110.918 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -162.72 121.24 2.13 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.147 0.579 . . . . 74.53 109.996 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.74 -5.99 56.35 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.14 0.976 . . . . 75.24 112.553 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.9 m -70.99 -50.5 33.57 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.497 0.319 . . . . 75.22 111.435 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.773 ' HB2' ' HB2' ' A' ' 152' ' ' ASN . 94.8 m-85 -88.16 27.78 1.16 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.874 0.694 . . . . 74.24 112.874 -171.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 32.7 ptt180 -104.94 97.56 7.41 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.51 -0.922 . . . . 74.4 108.51 169.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -102.63 178.55 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.999 -0.741 . . . . 73.5 108.999 178.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.15 138.52 54.15 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.88 -0.785 . . . . 72.21 108.88 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.83 145.2 49.89 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.291 1.037 . . . . 74.52 109.204 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -75.98 126.16 30.47 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.468 -0.568 . . . . 74.13 109.468 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.422 ' HB3' ' O ' ' A' ' 145' ' ' ASP . 35.7 t80 -84.76 120.87 26.92 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 123.932 0.893 . . . . 63.11 108.615 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -115.77 99.27 52.37 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.432 1.093 . . . . 65.24 108.083 174.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -66.12 141.15 62.33 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.464 2.109 . . . . 73.51 111.136 -175.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 95.74 0.68 Allowed 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.664 -0.865 . . . . 73.12 108.664 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -59.35 -27.16 65.68 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.584 1.153 . . . . 75.21 111.365 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -136.35 88.48 20.72 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 123.781 0.832 . . . . 71.23 108.846 170.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -79.82 148.59 20.03 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 123.031 2.488 . . . . 71.41 112.827 -175.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 158.2 44.13 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.447 0.699 . . . . 73.51 110.984 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.51 113.01 24.34 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.614 0.766 . . . . 75.21 109.863 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 m -105.0 154.1 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 124.23 1.012 . . . . 74.31 108.711 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -106.24 128.01 53.64 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 109.223 -0.658 . . . . 55.42 109.223 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.512 ' HB2' ' HB1' ' A' ' 168' ' ' ALA . 1.3 mm? -114.22 122.88 48.11 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 106.937 -1.505 . . . . 74.13 106.937 175.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.76 149.4 44.05 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 109.844 -0.428 . . . . 73.32 109.844 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 167' ' ' CYS . 58.3 p -119.31 164.35 15.81 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 120.887 0.375 . . . . 70.34 111.359 -173.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.7 p -77.26 -26.28 52.34 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.398 -0.819 . . . . 71.02 110.015 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.537 ' HB2' ' HA ' ' A' ' 166' ' ' SER . 23.4 tpt180 -71.86 -31.43 66.46 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.641 1.176 . . . . 73.32 112.249 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.99 -122.07 1.41 Allowed Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.414 -1.214 . . . . 74.32 111.907 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.37 151.45 44.79 Favored 'Trans proline' 0 C--N 1.384 2.407 0 C-N-CA 123.541 2.827 . . . . 74.12 112.534 -178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.29 157.76 56.0 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.604 2.203 . . . . 73.14 112.903 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.4 123.72 48.35 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.143 0.977 . . . . 50.23 108.587 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.86 122.81 32.63 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.784 0.434 . . . . 74.12 111.004 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.71 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 61.9 m-85 -122.38 134.34 54.62 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.736 1.214 . . . . 74.15 108.128 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -86.02 132.22 34.1 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 108.474 -0.935 . . . . 43.45 108.474 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -68.79 114.17 6.89 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.838 -0.43 . . . . 74.13 109.838 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.83 -50.27 9.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.636 0.774 . . . . 74.21 111.345 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -163.18 177.46 9.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.538 -0.755 . . . . 51.43 110.591 -171.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.629 HG12 HG22 ' A' ' 101' ' ' THR . 3.0 t -134.06 125.2 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 N-CA-C 107.722 -1.214 . . . . 73.13 107.722 172.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -98.14 121.81 40.51 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.821 0.848 . . . . 74.21 111.191 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.8 122.6 7.63 Favored Glycine 0 C--N 1.346 1.088 0 N-CA-C 111.602 -0.599 . . . . 71.13 111.602 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.614 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 31.5 p90 -144.78 172.44 13.0 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 117.417 0.608 . . . . 72.4 110.911 -176.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -111.98 149.76 31.52 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.324 1.05 . . . . 53.31 108.64 171.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.454 HD13 HG11 ' A' ' 176' ' ' VAL . 1.0 OUTLIER -166.61 117.29 0.94 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 107.695 -1.224 . . . . 75.01 107.695 -179.009 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.14 -111.43 4.01 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 123.237 0.335 . . . . 64.51 112.949 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.34 19.74 13.94 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.157 0.983 . . . . 74.1 109.279 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.7 m -122.38 127.98 50.39 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.384 0.674 . . . . 71.21 111.497 -175.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -96.03 112.06 23.9 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 105.794 -1.928 . . . . 71.54 105.794 161.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -130.66 150.25 51.94 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.822 -0.549 . . . . 73.54 109.83 -168.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.629 HG22 HG12 ' A' ' 90' ' ' VAL . 0.3 OUTLIER -120.39 129.65 54.03 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 106.467 -1.679 . . . . 54.01 106.467 -178.463 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.614 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 9.6 tp -117.96 129.28 55.51 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.606 0.762 . . . . 54.24 108.958 -166.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.7 m -84.24 116.46 22.97 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 109.511 -0.552 . . . . 64.03 109.511 -173.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.01 124.62 40.1 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.467 1.107 . . . . 62.1 108.662 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.71 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 38.6 m-85 -99.63 168.87 9.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.424 0.631 . . . . 61.31 110.216 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.526 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 33.5 ttm180 -116.08 133.16 56.33 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.682 1.193 . . . . 65.3 108.333 -171.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 110' ' ' GLU . 1.9 m -128.16 132.13 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.221 -1.029 . . . . 74.51 108.221 167.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -89.66 162.25 15.69 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.273 0.629 . . . . 70.13 110.058 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 75.5 -40.91 1.34 Allowed Glycine 0 CA--C 1.536 1.348 0 CA-C-N 115.757 -0.656 . . . . 70.24 112.354 -164.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.435 ' HB2' HG23 ' A' ' 107' ' ' VAL . 54.1 mm-40 -79.31 128.82 33.8 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.759 0.823 . . . . 71.34 108.905 162.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.2 m -79.24 -4.49 50.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.852 0.461 . . . . 55.03 110.917 166.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.6 m -93.44 144.55 25.24 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.843 0.857 . . . . 73.41 110.53 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.498 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 56.5 mt -89.04 139.25 30.65 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.104 0.962 . . . . 74.5 108.976 175.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.77 106.43 18.42 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.035 -1.098 . . . . 73.4 108.035 -176.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.66 95.48 27.99 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 123.718 0.807 . . . . 62.41 109.071 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 132' ' ' ARG . 73.2 Cg_endo -86.87 132.36 3.36 Favored 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 122.793 2.329 . . . . 73.21 110.936 171.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.424 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 42.2 p90 -146.33 167.95 22.29 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.572 0.349 . . . . 74.44 110.393 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.8 p -130.28 152.95 49.14 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 109.326 -0.62 . . . . 63.43 109.326 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -145.97 -168.91 3.11 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.406 0.682 . . . . 73.24 110.632 -173.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.54 -22.87 40.43 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.193 0.442 . . . . 74.42 112.193 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.26 -32.29 66.54 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.64 0.376 . . . . 63.23 110.006 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.3 p -66.59 -37.72 85.52 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 122.774 0.429 . . . . 71.03 110.267 171.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.19 -40.39 89.85 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.111 0.564 . . . . 71.42 111.338 174.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.96 -26.52 62.3 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.04 0.536 . . . . 73.53 111.278 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.39 -0.02 89.85 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 114.83 0.692 . . . . 71.33 114.83 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -77.02 -5.88 50.5 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 117.896 0.848 . . . . 72.13 110.976 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.474 ' HA ' ' HB ' ' A' ' 186' ' ' VAL . 68.3 p -127.59 158.99 36.0 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 107.582 -1.266 . . . . 51.14 107.582 160.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.475 ' CG ' ' HB2' ' A' ' 160' ' ' ALA . 33.1 t80 -54.78 113.33 1.28 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.934 0.494 . . . . 74.24 110.908 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -23.1 63.6 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 114.75 -1.113 . . . . 64.15 113.559 -163.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.404 ' HB2' ' CE2' ' A' ' 128' ' ' TYR . 53.9 m-70 -70.79 -12.98 61.87 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.167 0.432 . . . . 71.23 112.167 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.67 171.41 18.16 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-O 121.435 0.464 . . . . 75.31 113.831 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 2.5 tpp180 -116.05 156.35 26.49 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.618 1.567 . . . . 64.31 109.453 172.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -121.06 157.34 30.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.616 1.566 . . . . 61.41 109.151 168.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.424 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 1.9 tt -151.66 129.98 12.04 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 106.808 -1.552 . . . . 75.53 106.808 169.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.29 116.62 29.83 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 107.202 -1.407 . . . . 65.22 107.202 175.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.28 123.41 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 109.318 -0.623 . . . . 72.31 109.318 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -82.93 118.16 70.85 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 107.512 -1.292 . . . . 74.44 107.512 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.498 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 26.8 Cg_endo -60.42 -25.79 81.24 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 122.746 2.297 . . . . 63.32 112.934 -176.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 49.62 37.48 12.75 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.594 1.158 . . . . 40.45 113.017 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 1' ' ' MET . . . 54.48 37.15 59.73 Favored Glycine 0 C--N 1.352 1.417 0 N-CA-C 115.155 0.822 . . . . 74.24 115.155 -175.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.56 ' HB2' ' HG3' ' A' ' 5' ' ' PRO . . . -79.5 152.76 30.02 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.942 0.497 . . . . 62.22 111.224 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -131.65 -164.96 1.51 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.62 0.768 . . . . 74.44 109.168 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -57.73 93.76 0.04 OUTLIER Glycine 0 C--N 1.356 1.652 0 O-C-N 124.183 0.927 . . . . 24.32 113.643 -173.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.89 4.8 31.44 Favored Glycine 0 C--N 1.35 1.313 0 N-CA-C 114.753 0.661 . . . . 72.01 114.753 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 22.1 m-20 -92.41 131.98 37.13 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 106.926 -1.509 . . . . 72.11 106.926 173.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -99.71 145.34 27.75 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.301 0.955 . . . . 75.13 111.375 -171.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.99 160.48 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.245 1.018 . . . . 63.52 108.918 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.82 120.4 24.02 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.886 0.475 . . . . 52.32 111.283 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.2 mt -99.76 86.33 3.29 Favored 'General case' 0 C--O 1.247 0.93 0 C-N-CA 124.029 0.932 . . . . 74.11 108.925 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.447 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 3.2 m-20 -78.68 92.86 4.81 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 114.925 -1.034 . . . . 71.31 109.283 173.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.648 ' HB3' HG21 ' A' ' 180' ' ' ILE . 20.6 m-85 -75.68 -22.67 56.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.671 0.388 . . . . 74.42 111.074 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.773 ' HB2' ' HB2' ' A' ' 58' ' ' PHE . 25.2 t30 -63.9 -37.68 88.29 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.871 -0.604 . . . . 70.23 110.507 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.583 ' HG ' HG12 ' A' ' 19' ' ' ILE . 1.9 mm? -100.83 14.48 31.58 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.103 -0.953 . . . . 70.12 110.832 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.09 135.0 54.0 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 108.373 -0.973 . . . . 74.54 108.373 167.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -99.2 159.61 14.86 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.411 0.624 . . . . 64.34 109.344 -169.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.691 HD22 ' H ' ' A' ' 156' ' ' ASN . 0.0 OUTLIER -97.5 142.26 24.28 Favored Pre-proline 0 C--N 1.312 -1.023 0 N-CA-C 108.145 -1.057 . . . . 62.21 108.145 169.546 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . 0.438 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 99.9 Cg_exo -48.9 153.83 3.57 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 123.618 2.879 . . . . 74.43 114.535 176.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -64.93 -17.18 64.13 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 113.928 1.084 . . . . 75.25 113.928 -174.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 37.1 t -70.47 -11.36 60.87 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 122.983 0.513 . . . . 74.11 111.256 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.475 ' HB2' ' CG ' ' A' ' 128' ' ' TYR . . . -92.32 -0.12 57.41 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.028 0.931 . . . . 71.25 112.003 176.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -93.47 3.96 54.72 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.558 0.743 . . . . 74.45 109.66 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 119.33 -27.14 7.1 Favored Glycine 0 C--N 1.356 1.649 0 CA-C-N 115.502 -0.772 . . . . 71.21 112.281 172.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -97.64 -175.52 33.94 Favored Glycine 0 C--N 1.349 1.25 0 C-N-CA 122.91 0.291 . . . . 71.35 112.957 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 16.4 m -112.41 78.22 1.11 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.967 0.907 . . . . 71.33 109.182 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.558 ' HZ ' ' HA ' ' A' ' 38' ' ' ILE . 98.3 m-85 -96.49 176.53 6.0 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.003 0.521 . . . . 75.23 111.122 -177.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 79' ' ' ARG . 56.2 p -74.46 111.21 9.42 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.469 0.708 . . . . 53.44 111.093 -178.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 157' ' ' PRO . 39.0 m -126.6 111.52 14.44 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 108.695 -0.854 . . . . 32.42 108.695 178.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 75' ' ' LEU . . . -78.25 106.6 10.27 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 109.273 -0.64 . . . . 73.44 109.273 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 61.8 mt -59.85 127.27 85.16 Favored Pre-proline 0 CA--C 1.55 0.946 0 O-C-N 124.544 1.152 . . . . 75.12 110.069 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -67.9 151.92 77.67 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.92 2.413 . . . . 71.4 112.902 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -67.08 157.08 63.47 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 122.585 2.19 . . . . 72.13 111.47 168.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.02 65.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.276 0.63 . . . . 55.42 111.281 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.58 -22.51 66.13 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.423 1.089 . . . . 73.24 111.066 172.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -99.56 19.0 16.55 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.951 0.901 . . . . 72.23 110.335 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -93.05 118.75 31.54 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.396 -0.594 . . . . 73.21 109.396 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.454 HG11 HD13 ' A' ' 95' ' ' LEU . 40.7 t -96.36 121.02 61.33 Favored Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 107.602 -1.258 . . . . 73.12 107.602 171.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -78.65 61.43 7.99 Favored 'Trans proline' 0 C--N 1.372 1.796 0 C-N-CA 122.825 2.35 . . . . 74.1 112.016 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -151.59 145.72 25.32 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.937 1.295 . . . . 75.33 108.435 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -93.15 118.29 31.06 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.139 0.576 . . . . 70.25 109.75 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . 0.648 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.0 mp -96.97 93.64 3.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 N-CA-C 106.526 -1.657 . . . . 51.43 106.526 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 20.8 p -89.21 78.29 7.34 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.62 0.724 . . . . 72.34 110.846 -174.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -96.69 126.06 41.59 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 106.159 -1.793 . . . . 71.53 106.159 173.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -87.35 100.29 2.57 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 120.278 -0.963 . . . . 65.44 115.127 -162.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 52' ' ' PHE . 39.4 tt0 -133.87 146.06 50.23 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 105.193 -2.151 . . . . 64.42 105.193 147.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -74.24 126.7 31.2 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 107.978 -1.119 . . . . 62.02 107.978 168.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.509 ' HA ' ' NH2' ' A' ' 50' ' ' ARG . 85.9 t -129.96 124.93 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 105.184 -2.154 . . . . 53.01 105.184 169.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -112.33 106.09 14.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.994 -0.743 . . . . 73.31 108.994 -172.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -52.39 -21.8 4.01 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.117 0.967 . . . . 45.34 112.487 171.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -54.99 -47.09 75.09 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.15 1.38 . . . . 73.51 110.77 171.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.1 -60.89 1.63 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.707 0.803 . . . . 73.33 110.74 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 CA--C 1.555 1.159 0 C-N-CA 124.252 1.021 . . . . 73.11 109.691 -176.301 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ppp? . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.166 -0.309 . . . . 74.34 110.166 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 p -99.94 101.15 13.1 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 124.098 0.959 . . . . 61.12 109.347 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -82.68 128.65 5.36 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.166 1.911 . . . . 73.54 113.277 -174.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 mt -79.01 128.1 77.48 Favored Pre-proline 0 C--O 1.244 0.795 0 N-CA-C 108.132 -1.062 . . . . 74.04 108.132 166.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HG3' ' HB2' ' A' ' 141' ' ' ALA . 72.6 Cg_endo -71.81 122.79 8.83 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.969 1.779 . . . . 74.34 111.209 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 51.6 mt -161.08 -56.95 0.02 OUTLIER Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.427 1.491 . . . . 71.34 107.731 -179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 28.8 Cg_endo -88.5 30.69 0.42 Allowed 'Trans proline' 0 C--N 1.403 3.445 0 C-N-CA 121.94 1.76 . . . . 65.22 112.57 174.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 m -58.58 -33.3 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 108.924 -0.769 . . . . 53.41 108.924 167.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.466 HG21 ' HD2' ' A' ' 59' ' ' ARG . 10.2 t -91.95 96.4 10.35 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 107.783 -1.191 . . . . 43.21 107.783 163.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.1 m-20 -39.47 159.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 115.536 1.68 . . . . 62.41 115.536 174.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -49.96 138.84 14.75 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 114.571 -1.195 . . . . 73.44 110.428 169.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -43.73 -39.06 3.49 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 114.742 1.386 . . . . 74.53 114.742 -167.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.68 -57.35 13.05 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.699 0.761 . . . . 71.31 110.621 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -69.78 -25.09 63.63 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 114.442 -1.254 . . . . 63.11 111.865 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.486 ' O ' HG13 ' A' ' 19' ' ' ILE . 31.7 t90 -75.98 -47.94 23.03 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.364 1.066 . . . . 64.21 109.923 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -58.98 -36.0 74.13 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.714 0.633 . . . . 65.2 109.939 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.56 83.1 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 123.762 0.664 . . . . 74.22 112.054 172.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 2.8 mmp_? -58.6 -48.35 81.26 Favored 'General case' 0 C--N 1.371 1.527 0 N-CA-C 109.699 -0.482 . . . . 65.23 109.699 174.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 15' ' ' TRP . 25.0 mt -65.77 -50.89 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 124.121 0.888 . . . . 72.31 110.794 -176.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 -49.55 71.59 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.048 0.939 . . . . 62.25 112.043 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.72 -45.4 75.18 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.844 0.458 . . . . 43.31 110.946 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.47 -48.78 79.55 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.622 0.769 . . . . 72.21 111.217 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 13.9 ptt180 -70.54 -35.99 73.43 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 119.0 -0.524 . . . . 74.33 110.744 -175.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.52 81.98 Favored 'General case' 0 C--N 1.359 0.984 0 O-C-N 123.581 0.551 . . . . 72.44 110.821 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.27 -47.55 85.52 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.737 1.215 . . . . 72.4 110.116 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 158' ' ' PHE . 42.8 mmtm -79.19 -16.34 56.72 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.87 -1.059 . . . . 73.44 112.219 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 23' ' ' ARG . 7.4 t70 -77.0 -45.78 26.14 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 110.11 -0.33 . . . . 65.11 110.11 174.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.18 -27.94 61.05 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 115.726 -0.67 . . . . 73.12 110.105 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -40.44 -64.33 0.53 Allowed 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.954 1.701 . . . . 75.21 113.53 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.697 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -58.32 -19.71 37.18 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 112.47 0.544 . . . . 62.21 112.47 -174.305 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.79 -42.99 8.83 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.248 0.619 . . . . 62.44 111.419 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.6 p -100.29 12.7 36.5 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.549 1.139 . . . . 74.14 112.191 -170.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -144.56 132.99 21.95 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.668 -0.696 . . . . 75.33 111.069 -175.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.35 -8.3 59.63 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.302 -1.317 . . . . 60.34 110.695 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -60.51 -36.54 78.59 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 123.7 0.8 . . . . 64.53 110.78 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.1 m -157.64 79.23 3.44 Favored Pre-proline 0 CA--C 1.549 0.939 0 N-CA-C 107.541 -1.281 . . . . 72.45 107.541 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -78.79 153.01 25.71 Favored 'Trans proline' 0 C--N 1.374 1.881 0 C-N-CA 122.885 2.39 . . . . 63.15 113.222 -171.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.433 HG23 ' HB2' ' A' ' 43' ' ' ARG . 14.8 tt -95.55 135.26 23.25 Favored Pre-proline 0 CA--C 1.565 1.532 0 CA-C-N 114.817 -1.083 . . . . 64.23 108.159 172.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.09 149.81 51.36 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 123.624 2.882 . . . . 73.25 112.901 -175.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.82 -31.6 26.84 Favored 'Trans proline' 0 C--N 1.384 2.397 0 C-N-CA 124.406 3.404 . . . . 61.3 114.818 -171.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.23 -47.27 65.21 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.83 0.452 . . . . 74.42 111.291 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -81.88 -24.02 35.96 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.731 0.413 . . . . 71.11 109.974 -177.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.433 ' HB2' HG23 ' A' ' 38' ' ' ILE . 67.1 ttt180 -68.57 -34.91 76.64 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.109 0.964 . . . . 73.53 110.762 170.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.97 -42.0 60.47 Favored Glycine 0 C--N 1.347 1.176 0 N-CA-C 111.356 -0.698 . . . . 75.35 111.356 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.54 14.04 10.74 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.512 0.725 . . . . 71.35 112.058 176.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -73.0 117.31 14.57 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 121.452 0.644 . . . . 64.32 110.834 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -116.49 -63.14 1.49 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.101 -1.409 . . . . 73.43 107.904 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.68 148.56 7.93 Favored Glycine 0 C--N 1.341 0.857 0 CA-C-N 115.318 -0.855 . . . . 63.51 111.805 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 187' ' ' ASP . 2.8 mm? -87.31 151.01 23.47 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.492 0.717 . . . . 72.52 110.241 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -79.2 148.36 32.29 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.642 -0.708 . . . . 63.43 110.317 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -129.24 131.41 47.04 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 108.013 -1.106 . . . . 63.12 108.013 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.506 ' HB2' ' H ' ' A' ' 184' ' ' GLU . 2.8 m-85 -65.55 162.06 18.91 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.121 0.569 . . . . 70.41 109.911 175.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.87 122.05 16.84 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.855 0.862 . . . . 73.2 110.781 -173.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.449 HG21 HD13 ' A' ' 19' ' ' ILE . 38.9 mt -67.61 112.32 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 124.013 0.925 . . . . 62.43 110.071 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -113.74 130.01 56.49 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.275 -0.875 . . . . 73.53 111.002 -168.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.69 -27.01 45.02 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.14 0.976 . . . . 55.14 112.527 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.9 t -73.37 -18.56 61.15 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.602 0.361 . . . . 52.32 111.094 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -89.48 18.31 5.44 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.888 0.475 . . . . 74.1 111.044 172.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 53.3 ttp180 -105.48 92.02 4.02 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.972 -1.121 . . . . 63.23 107.972 167.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.5 m -98.96 157.62 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 116.006 -0.543 . . . . 75.23 110.451 -174.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.16 119.9 30.87 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 108.667 -0.864 . . . . 54.44 108.667 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -111.99 122.64 48.32 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.621 0.768 . . . . 74.04 110.474 -173.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -74.39 110.84 9.01 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.507 0.67 . . . . 74.51 109.676 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -79.89 112.19 16.94 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 114.301 -1.318 . . . . 73.41 109.254 -173.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -105.34 100.95 28.39 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 108.226 -1.027 . . . . 75.23 108.226 172.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HD2' ' HA2' ' A' ' 143' ' ' GLY . 35.2 Cg_endo -62.62 137.54 64.65 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 121.911 1.74 . . . . 64.21 109.735 175.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.7 103.19 0.66 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.4 -0.592 . . . . 33.14 109.4 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -55.64 -31.54 62.41 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 113.748 -1.569 . . . . 61.33 110.425 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.85 101.33 12.84 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 124.263 1.025 . . . . 73.43 109.423 165.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.12 122.03 7.32 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 122.524 2.149 . . . . 71.21 111.923 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.8 149.0 50.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.225 0.61 . . . . 61.53 110.263 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.41 115.58 20.82 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.041 0.936 . . . . 61.14 109.442 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 11.7 m -106.71 161.88 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.407 1.083 . . . . 75.22 109.792 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -98.52 113.72 25.85 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.262 1.025 . . . . 60.24 110.15 -177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 170' ' ' PRO . 1.9 mm? -104.03 133.61 48.69 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 106.597 -1.631 . . . . 65.34 106.597 168.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.51 162.0 28.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 117.8 0.273 . . . . 71.32 110.424 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.9 p -136.36 163.07 31.31 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.962 0.41 . . . . 73.22 109.999 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.0 p -103.43 -8.63 20.03 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.099 0.959 . . . . 72.25 110.295 173.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.408 ' HB2' ' HA ' ' A' ' 166' ' ' SER . 14.8 tpt180 -73.57 -33.7 64.78 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.942 0.897 . . . . 73.04 111.535 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.32 -120.37 1.06 Allowed Glycine 0 C--N 1.344 1.019 0 CA-C-O 118.484 -1.176 . . . . 64.53 111.137 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 43.9 Cg_exo -56.73 138.22 84.39 Favored 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 123.386 2.724 . . . . 64.34 112.164 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 17.2 Cg_exo -63.33 164.46 20.2 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.519 2.146 . . . . 71.55 113.178 -176.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.55 126.25 52.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.293 1.037 . . . . 74.01 111.044 -173.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 45.3 mt-10 -83.21 128.39 34.45 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.614 0.766 . . . . 61.55 109.963 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.481 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 53.5 m-85 -132.62 139.77 47.91 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 108.99 -0.745 . . . . 75.24 108.99 175.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.3 m -95.48 125.37 40.04 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.086 -0.709 . . . . 61.14 109.086 -175.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -73.75 115.69 13.47 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.365 -0.606 . . . . 73.13 109.365 -177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.561 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -98.57 -33.25 11.06 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.363 0.665 . . . . 64.34 110.636 -177.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.33 167.68 25.43 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.607 -0.724 . . . . 32.14 110.865 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.7 t -138.48 117.49 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.222 1.409 . . . . 62.51 107.947 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.635 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 1.9 mm? -93.55 131.94 38.33 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.24 0.616 . . . . 74.11 111.145 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.82 114.7 3.4 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 110.784 -0.926 . . . . 63.12 110.784 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.461 ' HE2' HD12 ' A' ' 95' ' ' LEU . 24.7 p90 -146.86 140.83 26.02 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.694 0.798 . . . . 73.44 109.855 -166.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 4.1 m-20 -81.36 146.98 30.05 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.81 0.444 . . . . 72.21 110.022 172.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.461 HD12 ' HE2' ' A' ' 93' ' ' PHE . 2.0 tt -158.37 127.34 5.58 Favored 'General case' 0 C--O 1.249 1.029 0 N-CA-C 107.085 -1.45 . . . . 70.41 107.085 -174.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.67 -91.94 1.09 Allowed Glycine 0 C--N 1.351 1.404 0 N-CA-C 109.762 -1.335 . . . . 41.41 109.762 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -133.51 -15.57 2.44 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.121 1.369 . . . . 74.11 110.477 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.9 m -117.96 147.56 43.04 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.979 0.419 . . . . 70.22 111.569 -165.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 20.6 p-80 -84.69 123.05 29.94 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 108.712 -0.847 . . . . 64.0 108.712 174.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -116.74 149.96 39.03 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.656 1.582 . . . . 71.34 109.001 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 m -129.2 126.74 39.85 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.94 -0.763 . . . . 71.42 108.94 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.8 tp -132.68 141.42 48.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.489 0.716 . . . . 71.33 109.37 -165.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.5 m -93.4 132.05 38.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.953 0.406 . . . . 71.1 111.007 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.526 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -106.02 116.94 32.8 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.259 1.024 . . . . 73.51 108.768 177.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.481 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 38.8 m-85 -93.84 171.54 8.8 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.399 0.619 . . . . 74.33 111.64 -175.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.561 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 48.2 ttt180 -116.35 119.1 34.61 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.811 1.244 . . . . 70.14 107.894 -172.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 54.6 t -109.9 124.03 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.776 0.83 . . . . 63.42 109.179 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.31 143.05 56.38 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.961 0.504 . . . . 74.45 110.013 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 83.7 -31.02 3.37 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-O 120.009 -0.328 . . . . 73.01 113.495 -174.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -106.12 121.9 45.09 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.887 0.875 . . . . 64.12 110.427 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.5 m -77.86 -11.28 59.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.702 0.801 . . . . 64.14 112.07 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.5 m -87.17 145.76 26.28 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 123.092 0.557 . . . . 41.03 110.043 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.451 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 53.1 mt -82.3 127.34 33.12 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.066 0.946 . . . . 63.41 108.545 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.89 113.02 24.53 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.817 -1.179 . . . . 63.14 107.817 -172.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 104' ' ' ALA . 21.6 t -110.04 98.2 33.51 Favored Pre-proline 0 N--CA 1.475 0.779 0 C-N-CA 123.493 0.717 . . . . 75.41 109.391 -177.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -84.59 123.67 2.96 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 123.373 2.716 . . . . 53.02 109.944 168.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.411 ' HE1' ' HB2' ' A' ' 134' ' ' LEU . 6.3 p90 -148.48 166.11 29.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.482 0.658 . . . . 74.43 110.416 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.5 p -128.19 163.12 25.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.559 -1.2 . . . . 71.53 107.851 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -160.02 -166.15 1.65 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.105 0.562 . . . . 62.02 109.873 -174.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -77.75 -27.31 50.36 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 111.94 0.348 . . . . 64.11 111.94 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.7 m -77.6 -35.07 53.25 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.406 0.682 . . . . 54.33 112.126 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.415 HG23 ' HE ' ' A' ' 132' ' ' ARG . 23.7 p -66.42 -36.3 82.47 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 120.975 0.417 . . . . 75.34 110.161 170.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.87 -28.77 69.77 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.086 -0.961 . . . . 75.2 111.155 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.47 -19.85 64.58 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.224 1.01 . . . . 65.03 111.435 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 89.86 -21.95 27.71 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 115.501 0.96 . . . . 75.21 115.501 175.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -76.01 -7.59 55.01 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.062 0.931 . . . . 75.0 112.983 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.8 p -129.31 164.96 22.41 Favored 'General case' 0 C--O 1.246 0.917 0 N-CA-C 107.68 -1.23 . . . . 35.01 107.68 160.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 186' ' ' VAL . 98.7 m-85 -58.3 112.56 1.6 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.368 0.877 . . . . 72.03 113.368 -164.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -57.8 -26.65 62.23 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.749 1.219 . . . . 63.04 111.798 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.549 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 59.6 m80 -69.34 -13.17 62.23 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.108 0.963 . . . . 75.15 111.564 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.79 162.82 11.32 Favored Glycine 0 C--N 1.339 0.714 0 N-CA-C 110.744 -0.942 . . . . 53.34 110.744 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.415 ' HE ' HG23 ' A' ' 122' ' ' THR . 11.0 ptp180 -122.91 141.39 51.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.798 -1.556 . . . . 70.33 106.798 173.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.411 ' HB2' ' HB3' ' A' ' 155' ' ' TYR . 80.7 m-85 -96.75 167.99 10.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.332 0.587 . . . . 63.02 110.644 175.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.411 ' HB2' ' HE1' ' A' ' 117' ' ' PHE . 4.0 tt -150.9 130.57 13.11 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 106.384 -1.71 . . . . 75.22 106.384 170.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -100.67 124.6 46.51 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 108.583 -0.895 . . . . 75.02 108.583 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.2 t -113.67 123.22 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.125 -1.065 . . . . 72.24 108.125 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -89.84 119.22 69.42 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 107.918 -1.142 . . . . 73.12 107.918 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.27 -31.6 63.17 Favored 'Trans proline' 0 C--N 1.372 1.799 0 C-N-CA 122.415 2.077 . . . . 61.21 112.975 -177.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 51.4 -82.75 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.735 1.214 . . . . 73.12 113.207 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -150.82 25.48 1.04 Allowed Glycine 0 C--N 1.343 0.941 0 C-N-CA 123.58 0.609 . . . . 65.32 112.066 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.405 ' HB2' ' HG3' ' A' ' 5' ' ' PRO . . . -67.44 105.35 1.78 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.465 1.106 . . . . 74.3 112.138 -175.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -86.46 169.98 12.37 Favored 'General case' 0 C--O 1.249 1.07 0 CA-C-N 115.091 -0.959 . . . . 53.43 109.21 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 66' ' ' PRO . . . -56.2 103.09 0.22 Allowed Glycine 0 C--N 1.342 0.913 0 O-C-N 123.696 0.623 . . . . 65.42 113.555 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 105.01 10.14 32.91 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-O 119.284 -0.731 . . . . 63.25 114.145 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.18 177.27 9.13 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 117.743 0.771 . . . . 75.43 109.446 172.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -119.51 143.84 47.34 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.077 0.465 . . . . 74.1 110.505 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.15 144.06 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 107.782 -1.192 . . . . 61.3 107.782 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.88 110.81 14.42 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 110.12 -0.326 . . . . 74.14 110.12 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 16.1 mt -92.71 86.22 5.48 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 108.255 -1.017 . . . . 73.05 108.255 171.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -87.21 102.73 14.76 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 114.815 -1.084 . . . . 70.12 108.195 171.422 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -66.57 -16.65 64.32 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.315 -1.311 . . . . 45.33 110.434 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -75.63 -0.67 21.41 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.598 0.759 . . . . 73.4 112.209 173.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 153' ' ' LEU . 3.3 mm? -110.74 -0.38 17.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.879 0.872 . . . . 75.1 111.396 168.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.13 140.21 21.48 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 123.945 0.778 . . . . 72.25 112.593 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.411 ' HB3' ' HB2' ' A' ' 133' ' ' TYR . 68.9 t80 -97.07 160.91 14.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.623 1.169 . . . . 61.44 108.809 -172.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -129.84 153.5 80.91 Favored Pre-proline 0 N--CA 1.476 0.859 0 N-CA-C 108.975 -0.75 . . . . 73.25 108.975 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.92 120.67 7.55 Favored 'Trans proline' 0 C--N 1.371 1.756 0 C-N-CA 120.898 1.066 . . . . 45.55 110.206 171.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 26' ' ' LYS . 82.9 m-85 -86.41 -15.63 39.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.937 0.495 . . . . 74.22 110.71 175.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 165' ' ' PHE . 35.9 m -57.1 -33.02 66.89 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.433 1.093 . . . . 73.12 111.014 169.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.16 -15.64 63.83 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.248 1.019 . . . . 73.22 112.95 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . 0.423 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 29.5 m-85 -71.39 8.37 1.07 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 114.111 1.152 . . . . 60.15 114.111 -177.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 114.34 -10.6 22.1 Favored Glycine 0 N--CA 1.474 1.214 0 CA-C-N 118.763 0.711 . . . . 52.23 113.355 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -74.01 -155.8 4.08 Favored Glycine 0 C--N 1.353 1.476 0 CA-C-N 117.38 0.59 . . . . 41.23 112.711 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 49.9 m -76.75 100.74 5.55 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 107.106 -1.442 . . . . 62.44 107.106 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 159' ' ' CYS . 7.8 p90 -80.89 78.11 7.72 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 122.725 1.25 . . . . 72.01 111.131 -164.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 79' ' ' ARG . 22.2 p -98.01 94.24 6.75 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 113.553 -1.658 . . . . 61.45 109.322 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 130' ' ' HIS . 6.9 p -122.52 135.95 54.77 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.292 -1.003 . . . . 72.12 108.292 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -85.25 93.76 8.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.243 0.617 . . . . 75.21 109.77 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.36 111.83 5.36 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 124.478 1.111 . . . . 73.33 109.46 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.566 ' HB2' ' HB2' ' A' ' 174' ' ' ASN . 56.7 Cg_endo -83.42 152.02 13.59 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 122.429 2.086 . . . . 73.4 111.772 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.87 176.35 1.88 Allowed 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.907 2.405 . . . . 70.33 113.289 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -67.27 -15.96 64.0 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.323 0.649 . . . . 50.15 111.547 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.71 -23.68 66.15 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.987 0.915 . . . . 73.25 111.264 172.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.566 ' HB2' ' HB2' ' A' ' 170' ' ' PRO . 36.8 m-80 -112.82 36.17 3.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.918 0.887 . . . . 71.0 109.644 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -116.47 115.14 25.26 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.753 -0.832 . . . . 72.15 108.753 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.448 HG11 HD13 ' A' ' 95' ' ' LEU . 60.9 t -86.2 119.46 71.67 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 108.894 -0.78 . . . . 64.43 108.894 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.54 58.89 4.69 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 123.169 2.579 . . . . 64.03 112.205 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.33 152.18 31.79 Favored 'General case' 0 C--O 1.251 1.183 0 C-N-CA 124.529 1.131 . . . . 62.42 108.923 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -85.35 104.86 15.55 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.832 -0.622 . . . . 70.03 109.374 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 1.8 mp -91.45 89.59 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 104.385 -2.45 . . . . 73.3 104.385 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 2.4 m -119.35 73.19 0.93 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.316 1.055 . . . . 70.12 108.434 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -108.91 -163.05 0.84 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 113.589 -1.641 . . . . 72.12 108.589 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -71.89 100.69 0.95 Allowed Glycine 0 C--N 1.356 1.671 0 N-CA-C 110.203 -1.159 . . . . 55.42 110.203 170.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . 0.506 ' H ' ' HB2' ' A' ' 52' ' ' PHE . 6.3 pt-20 -133.21 144.58 49.9 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.092 1.357 . . . . 70.44 108.318 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.502 HH22 HD23 ' A' ' 49' ' ' LEU . 10.8 ptm180 -106.86 179.67 4.2 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.713 0.768 . . . . 61.12 111.603 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.577 HG22 ' H ' ' A' ' 187' ' ' ASP . 8.7 p -173.2 -169.47 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 CA-C-N 113.629 -1.623 . . . . 75.43 106.904 -167.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . 0.577 ' H ' HG22 ' A' ' 186' ' ' VAL . 9.8 p-10 -116.85 93.29 4.14 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 106.087 -1.82 . . . . 71.32 106.087 168.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -93.08 -2.76 55.2 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.206 -0.934 . . . . 72.02 110.517 -171.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -64.55 -39.96 94.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.647 0.779 . . . . 72.3 108.939 167.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -93.84 -66.8 0.89 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.318 -0.855 . . . . 73.23 109.347 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 . . . . . 0 CA--C 1.556 1.204 0 C-N-CA 123.698 0.799 . . . . 64.15 112.333 178.505 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 108.956 -0.757 . . . . 62.41 108.956 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -74.03 -50.5 5.27 Favored Pre-proline 0 CA--C 1.563 1.46 0 CA-C-O 118.743 -0.646 . . . . 64.3 109.995 174.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -89.45 171.97 4.21 Favored 'Trans proline' 0 C--N 1.393 2.902 0 C-N-CA 121.331 1.354 . . . . 52.41 111.65 167.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.81 138.42 85.49 Favored Pre-proline 0 N--CA 1.48 1.04 0 C-N-CA 123.689 0.795 . . . . 64.51 110.139 171.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.94 123.69 11.64 Favored 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.548 2.165 . . . . 71.51 110.885 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 36.3 mt -167.32 -58.63 0.01 OUTLIER Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 125.482 1.513 . . . . 73.0 108.409 -170.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 21.4 Cg_endo -88.49 28.58 0.48 Allowed 'Trans proline' 0 C--N 1.397 3.124 0 C-N-CA 122.381 2.054 . . . . 71.15 111.787 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.3 m -71.08 -20.89 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.885 0.874 . . . . 73.42 111.037 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -85.02 91.73 8.16 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 107.79 -1.189 . . . . 73.12 107.79 164.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 6.5 t0 -34.96 147.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.852 1.661 . . . . 45.14 114.875 177.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -54.12 138.38 38.11 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.746 0.819 . . . . 73.43 111.136 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -40.83 -42.19 1.75 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 126.239 1.816 . . . . 64.34 115.514 -163.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.35 -59.44 5.0 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.085 0.554 . . . . 73.42 110.462 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -72.16 -19.93 61.68 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.038 -0.983 . . . . 73.32 111.415 -178.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.484 ' O ' HG13 ' A' ' 19' ' ' ILE . 27.2 t90 -66.21 -55.03 18.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.604 1.162 . . . . 73.14 109.507 174.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' HA ' HD12 ' A' ' 19' ' ' ILE . 77.2 mtt-85 -61.93 -30.35 70.84 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.58 -0.736 . . . . 74.24 111.016 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.52 93.98 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 119.146 -0.454 . . . . 62.24 111.289 170.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 8.6 mmp_? -58.23 -49.57 76.62 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.963 0.505 . . . . 71.34 110.466 177.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 15' ' ' TRP . 19.9 mt -63.49 -58.63 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 115.461 -0.79 . . . . 73.42 110.504 -175.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.36 -39.45 75.99 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.095 0.872 . . . . 61.2 112.009 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -47.58 70.08 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.689 0.396 . . . . 71.32 111.694 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -67.32 -38.82 85.52 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 121.108 0.48 . . . . 75.33 110.421 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.522 ' NH1' ' HB2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -68.84 -34.24 75.15 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 114.798 -1.092 . . . . 70.24 109.628 178.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.63 -36.56 70.8 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.65 0.78 . . . . 75.11 111.309 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.19 -42.01 98.89 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.242 0.617 . . . . 52.21 109.851 173.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -29.57 65.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.462 -0.79 . . . . 72.43 111.687 174.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -62.23 -47.98 82.03 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.311 0.644 . . . . 75.02 109.818 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.06 -19.29 44.11 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.579 -0.737 . . . . 74.21 112.38 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.444 ' O ' ' HB3' ' A' ' 33' ' ' HIS . 42.2 t80 -56.52 -51.92 66.7 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 112.96 0.726 . . . . 74.42 112.96 -176.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.654 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -85.28 -18.82 32.76 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 111.633 0.234 . . . . 72.12 111.633 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.98 -54.88 6.2 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.273 0.629 . . . . 54.42 111.371 -176.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 t -120.85 -50.63 2.17 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.371 0.669 . . . . 64.21 112.004 -173.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 3.2 t-160 -44.85 115.34 0.86 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.192 0.997 . . . . 75.53 111.27 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.84 -17.82 57.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.683 1.193 . . . . 50.54 113.974 -167.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.414 ' H ' ' HD2' ' A' ' 33' ' ' HIS . 56.1 tp60 -69.22 -20.4 63.96 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.095 0.558 . . . . 61.14 112.012 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 t -143.0 106.05 5.26 Favored Pre-proline 0 C--N 1.345 0.41 0 N-CA-C 108.652 -0.87 . . . . 74.45 108.652 -169.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -91.22 123.28 0.8 Allowed 'Trans proline' 0 CA--C 1.552 1.402 0 C-N-CA 122.492 2.128 . . . . 62.13 111.867 168.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.654 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 18.3 tt -80.4 142.57 54.4 Favored Pre-proline 0 N--CA 1.477 0.887 0 N-CA-C 107.085 -1.45 . . . . 75.1 107.085 165.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -43.44 131.41 6.99 Favored 'Trans proline' 0 CA--C 1.559 1.766 0 C-N-CA 123.097 2.531 . . . . 72.02 113.687 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.42 -33.28 46.06 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 123.788 2.992 . . . . 62.0 112.851 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.61 92.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.804 0.842 . . . . 72.55 111.767 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.01 -38.27 32.43 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.166 0.586 . . . . 63.33 110.941 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HB2' HG23 ' A' ' 38' ' ' ILE . 44.0 ttp85 -63.66 -29.78 70.97 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.78 0.675 . . . . 60.03 111.386 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.64 -44.27 96.7 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 116.112 -0.494 . . . . 71.11 112.357 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.43 17.39 16.21 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.762 0.825 . . . . 74.12 111.888 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -76.83 122.55 24.96 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.144 0.578 . . . . 72.14 110.423 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -136.61 -17.42 1.49 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.347 0.659 . . . . 75.32 111.084 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.03 122.44 0.61 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 111.787 -0.525 . . . . 75.31 111.787 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.522 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 65.4 mt -64.49 147.38 52.88 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.501 0.721 . . . . 62.22 111.622 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -81.9 134.47 35.4 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.286 -0.87 . . . . 72.04 110.626 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -160.64 147.39 15.44 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.73 -1.123 . . . . 64.21 108.727 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -73.38 161.72 30.14 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.537 -0.542 . . . . 75.51 109.537 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.06 145.9 44.09 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.37 -0.377 . . . . 71.1 110.683 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -65.3 115.86 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.438 0.695 . . . . 75.3 110.15 -171.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -105.36 131.21 53.08 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.431 0.692 . . . . 62.41 109.938 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.59 -21.85 47.98 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.785 0.834 . . . . 64.51 111.98 -175.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.6 m -79.45 -19.42 49.89 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 122.138 -0.351 . . . . 62.31 110.469 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -86.46 11.77 11.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.318 0.647 . . . . 75.24 112.391 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.515 ' HB3' ' ND2' ' A' ' 152' ' ' ASN . 36.9 ptt180 -109.68 108.2 18.5 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 108.327 -0.99 . . . . 72.14 108.327 164.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.6 m -103.01 170.57 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 120.969 0.414 . . . . 74.34 110.57 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.43 108.38 18.88 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.677 -1.231 . . . . 53.54 107.677 175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.36 134.29 47.0 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.993 0.917 . . . . 72.2 109.937 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -74.68 117.45 16.53 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.486 0.714 . . . . 72.53 109.799 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -83.05 124.22 30.23 Favored 'General case' 0 C--O 1.251 1.156 0 C-N-CA 124.994 1.317 . . . . 74.22 110.128 -174.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -125.8 112.28 24.85 Favored Pre-proline 0 C--O 1.214 -0.783 0 N-CA-C 108.482 -0.933 . . . . 72.45 108.482 167.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.94 163.69 36.31 Favored 'Trans proline' 0 C--N 1.369 1.641 0 C-N-CA 122.455 2.103 . . . . 64.34 111.741 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.82 97.69 3.34 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.488 -0.931 . . . . 63.23 108.488 172.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -58.3 -27.17 63.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.225 1.01 . . . . 71.44 110.963 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -128.17 93.44 38.91 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 107.57 -1.27 . . . . 53.14 107.57 167.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.7 128.5 12.61 Favored 'Trans proline' 0 C--N 1.367 1.542 0 C-N-CA 121.997 1.798 . . . . 70.34 111.389 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -131.0 152.2 50.57 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.77 0.828 . . . . 74.23 110.853 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.15 113.15 23.49 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.587 0.755 . . . . 75.42 109.352 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 33.8 m -105.68 156.65 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 123.775 0.83 . . . . 72.41 109.958 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.508 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 44.8 mt-10 -102.04 116.36 32.52 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.37 0.668 . . . . 54.55 109.611 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.431 HD23 ' HD2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -114.41 124.37 51.77 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.143 -1.428 . . . . 74.13 107.143 174.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -60.36 152.7 24.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.367 0.667 . . . . 70.35 109.873 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.2 p -117.66 163.62 16.2 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.483 0.583 . . . . 74.01 110.721 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.9 p -74.72 -27.88 60.56 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.212 -0.904 . . . . 70.01 109.946 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -72.97 -32.46 65.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.263 -0.881 . . . . 70.12 111.442 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.23 -120.39 1.13 Allowed Glycine 0 C--N 1.346 1.13 0 CA-C-O 118.844 -0.976 . . . . 63.33 112.465 -171.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -50.83 143.76 28.96 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.269 3.313 . . . . 72.14 114.128 -172.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -61.87 139.03 77.63 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 122.874 2.383 . . . . 64.54 112.691 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.35 128.63 44.34 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.069 1.347 . . . . 75.01 109.093 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.51 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 40.0 mt-10 -94.06 127.84 40.1 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.075 0.55 . . . . 73.21 110.084 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.46 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 59.1 m-85 -131.02 139.03 49.9 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.998 0.519 . . . . 54.21 110.98 -177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -80.98 130.94 35.26 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.436 -0.802 . . . . 60.23 109.284 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -70.85 116.08 10.73 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.658 0.383 . . . . 72.25 110.032 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.66 -51.1 8.05 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.433 0.693 . . . . 44.12 111.457 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.9 175.23 12.75 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.369 -0.832 . . . . 64.23 110.93 -171.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.86 125.05 34.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 C-N-CA 125.474 1.51 . . . . 70.41 107.145 171.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -104.01 135.25 45.87 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.485 1.114 . . . . 41.34 110.431 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -116.16 122.63 5.6 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 111.14 -0.784 . . . . 53.44 111.14 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.69 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 39.8 p90 -143.92 -175.89 4.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.278 0.631 . . . . 75.1 110.775 -171.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -121.56 142.49 50.04 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.997 0.919 . . . . 64.54 109.741 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.5 mt -149.05 129.28 13.69 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.529 1.132 . . . . 75.42 108.609 175.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.12 -104.02 1.03 Allowed Glycine 0 C--N 1.35 1.331 0 O-C-N 123.538 0.524 . . . . 44.4 113.047 173.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -108.52 -18.26 13.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.43 1.092 . . . . 75.44 110.52 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 m -133.55 154.78 50.59 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 122.156 0.979 . . . . 70.32 113.398 -163.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -85.61 124.9 32.68 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.16 -1.382 . . . . 74.51 108.125 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -125.58 147.65 49.21 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.793 0.837 . . . . 75.12 109.24 -171.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.32 162.06 16.51 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.909 -0.775 . . . . 71.33 108.909 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.69 ' HB2' ' HE1' ' A' ' 93' ' ' PHE . 4.5 tp -147.35 128.65 14.81 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 109.244 -0.65 . . . . 75.4 109.244 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.0 m -87.15 123.04 31.77 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.108 0.48 . . . . 61.03 110.458 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -101.55 124.07 46.61 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.442 1.097 . . . . 54.13 109.701 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.46 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 25.6 m-85 -96.69 175.93 6.19 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.658 0.783 . . . . 55.32 110.084 175.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.598 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 72.4 ttt180 -128.97 129.88 45.99 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.707 -0.849 . . . . 64.41 108.707 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.698 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 15.3 t -82.16 152.93 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 108.836 -0.801 . . . . 62.54 108.836 175.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.26 114.48 6.77 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 122.888 0.475 . . . . 45.24 110.462 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.96 28.01 47.61 Favored Glycine 0 N--CA 1.475 1.245 0 CA-C-N 116.337 -0.392 . . . . 64.51 112.427 171.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.698 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -80.71 175.98 10.2 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.039 1.336 . . . . 74.54 112.474 -171.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 79.3 p -113.81 -34.43 5.47 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.626 -0.879 . . . . 75.14 108.626 161.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.6 m -121.67 153.45 38.15 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.427 -1.261 . . . . 74.14 110.984 -173.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 135' ' ' ASP . 19.6 mt -83.3 140.52 32.42 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.712 1.205 . . . . 65.21 110.528 -174.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -92.32 98.1 11.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.779 1.232 . . . . 60.44 108.856 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.4 t -107.77 107.18 60.01 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 122.454 0.302 . . . . 64.14 110.217 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -81.14 153.72 18.96 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.966 2.444 . . . . 71.02 110.822 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -168.64 159.46 10.02 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 121.638 0.732 . . . . 73.43 112.212 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 170' ' ' PRO . 4.3 p -134.31 151.8 51.45 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.784 -1.553 . . . . 75.34 108.928 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.483 ' CG ' HH22 ' A' ' 132' ' ' ARG . 2.9 m-20 -117.04 -161.86 0.83 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.505 1.122 . . . . 74.52 110.207 -168.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -79.05 -34.24 43.93 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.157 0.983 . . . . 73.12 108.943 155.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.2 m -59.2 -30.82 68.5 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.359 1.464 . . . . 55.43 111.611 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.677 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 14.2 p -70.92 -49.72 42.64 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.064 0.945 . . . . 73.54 111.075 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.57 -18.33 60.59 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 115.652 -0.704 . . . . 64.12 111.387 -177.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -84.5 -9.06 58.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.258 0.623 . . . . 61.01 110.614 172.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.64 6.72 86.97 Favored Glycine 0 C--N 1.352 1.434 0 N-CA-C 115.571 0.989 . . . . 64.01 115.571 169.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -77.57 -44.94 26.83 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 117.843 0.821 . . . . 73.45 109.981 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.668 ' HA ' ' HA ' ' A' ' 186' ' ' VAL . 75.3 p -111.58 155.05 23.93 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.116 0.966 . . . . 73.11 110.522 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.466 ' HB3' ' HD2' ' A' ' 132' ' ' ARG . 7.5 t80 -53.31 104.89 0.11 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.854 1.262 . . . . 70.04 112.469 -169.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.677 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 0.0 OUTLIER -63.32 -25.49 68.33 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.608 1.163 . . . . 73.22 112.369 -174.632 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -77.38 -6.47 53.45 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 115.623 -0.717 . . . . 70.04 111.745 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 128.72 161.74 10.75 Favored Glycine 0 C--N 1.347 1.143 0 CA-C-N 116.359 -0.382 . . . . 65.15 112.921 170.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.665 ' HE ' ' HB ' ' A' ' 127' ' ' THR . 0.0 OUTLIER -136.67 167.12 22.02 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.882 0.873 . . . . 72.32 108.893 169.144 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -118.49 164.57 15.08 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.705 0.764 . . . . 74.43 111.646 -175.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.507 ' HA ' ' HD1' ' A' ' 155' ' ' TYR . 1.6 tt -147.44 119.24 8.09 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 105.889 -1.893 . . . . 53.51 105.889 171.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.465 ' HA ' ' O ' ' A' ' 113' ' ' LEU . 3.7 p30 -86.54 112.21 21.33 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.745 -1.206 . . . . 73.45 107.745 171.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 66.7 t -105.86 120.5 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.917 -0.771 . . . . 74.01 108.917 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -78.33 120.94 82.99 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 108.252 -1.018 . . . . 72.43 108.252 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.1 -31.3 95.25 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.855 2.37 . . . . 31.41 112.578 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 47.82 36.37 5.81 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.546 1.138 . . . . 71.4 112.678 -176.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 55.82 42.07 84.98 Favored Glycine 0 C--N 1.35 1.356 0 CA-C-N 115.777 -0.647 . . . . 44.14 114.543 -174.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -80.66 163.29 23.71 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.771 0.428 . . . . 71.55 111.038 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -146.92 175.58 10.55 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 108.96 -0.755 . . . . 73.23 108.96 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -58.16 112.07 3.62 Favored Glycine 0 C--N 1.348 1.22 0 N-CA-C 114.249 0.46 . . . . 43.55 114.249 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.37 -3.49 32.93 Favored Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.624 -0.542 . . . . 75.5 113.498 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -80.98 -179.88 7.54 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 117.429 0.615 . . . . 72.33 109.664 168.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -129.99 156.08 45.06 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.611 0.719 . . . . 63.21 109.264 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.65 158.69 41.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.582 -1.266 . . . . 55.05 107.582 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.87 115.78 24.51 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.814 -0.81 . . . . 71.3 108.814 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.2 mt -92.18 85.81 5.57 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 107.847 -1.168 . . . . 64.35 107.847 171.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.486 ' HB3' HD23 ' A' ' 153' ' ' LEU . 3.5 m-20 -74.81 93.71 2.66 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 113.73 -1.577 . . . . 71.3 108.053 173.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.651 ' HB3' HG21 ' A' ' 180' ' ' ILE . 22.1 m-85 -74.29 -19.93 60.31 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 116.096 -0.502 . . . . 72.32 109.848 173.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 59' ' ' ARG . 8.8 p30 -64.69 -24.12 67.47 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.223 0.609 . . . . 54.51 111.014 173.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 150' ' ' ASP . 2.3 mm? -77.98 -24.26 48.09 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.718 0.807 . . . . 72.1 111.738 172.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -41.96 125.76 3.01 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 125.34 1.456 . . . . 72.24 113.851 -165.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.728 ' HA ' ' HG3' ' A' ' 184' ' ' GLU . 8.4 m-85 -103.47 162.77 12.75 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 114.083 -1.417 . . . . 62.05 111.206 -164.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.42 HD22 ' HB2' ' A' ' 184' ' ' GLU . 7.1 p30 -100.01 152.14 37.72 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.169 -0.923 . . . . 55.2 110.71 -173.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -81.21 134.54 9.2 Favored 'Trans proline' 0 CA--C 1.552 1.388 0 C-N-CA 122.829 2.352 . . . . 73.04 109.375 156.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -75.79 -5.65 46.86 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.431 0.692 . . . . 65.15 112.024 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 29.4 m -54.52 -36.29 64.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.869 0.868 . . . . 73.15 110.019 165.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.02 -36.01 72.24 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 114.998 -1.001 . . . . 75.23 110.884 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . 0.4 ' HE2' HD13 ' A' ' 49' ' ' LEU . 2.8 m-30 -89.65 12.62 16.31 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.286 0.634 . . . . 74.14 111.135 -174.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.24 -33.57 6.22 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-N 116.093 -0.503 . . . . 51.14 113.366 168.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -57.44 124.16 35.06 Favored Glycine 0 C--N 1.348 1.237 0 N-CA-C 111.312 -0.715 . . . . 60.1 111.312 172.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 51.0 m -81.77 78.82 8.45 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.528 0.68 . . . . 71.55 110.84 -170.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -101.18 -175.46 2.87 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 114.898 -1.047 . . . . 73.23 110.43 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 26.9 p -103.94 122.69 45.73 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.83 0.852 . . . . 72.43 109.727 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 36.4 t -109.6 113.78 26.85 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.659 -1.237 . . . . 72.04 107.659 171.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -74.32 118.49 17.33 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.188 0.595 . . . . 63.02 109.529 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 170' ' ' PRO . 4.2 mm? -58.47 118.28 26.88 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 124.528 1.131 . . . . 70.05 110.064 179.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.409 ' HG2' HG23 ' A' ' 118' ' ' THR . 17.5 Cg_exo -67.46 133.47 30.22 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.986 2.457 . . . . 72.35 110.848 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.78 170.59 11.12 Favored 'Trans proline' 0 C--N 1.37 1.676 0 C-N-CA 122.636 2.224 . . . . 70.34 112.467 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -53.04 -28.87 26.55 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 114.101 1.149 . . . . 24.34 114.101 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.61 -21.97 61.04 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 120.831 0.348 . . . . 64.22 111.469 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 102' ' ' LEU . 16.0 m120 -96.67 -0.01 49.06 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.248 0.619 . . . . 74.22 111.855 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -92.91 110.06 21.51 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.3 -0.63 . . . . 52.02 109.3 172.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 30.1 m -95.46 132.09 28.33 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 123.861 0.864 . . . . 71.35 110.007 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -74.79 69.53 5.35 Favored 'Trans proline' 0 C--N 1.369 1.617 0 C-N-CA 122.775 2.317 . . . . 44.44 111.015 165.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -153.04 145.66 24.25 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.252 1.021 . . . . 73.3 108.979 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -95.0 104.71 16.59 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.191 0.597 . . . . 72.24 109.735 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . 0.651 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.9 mp -105.79 94.68 3.26 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 N-CA-C 108.301 -1.0 . . . . 71.33 108.301 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 26.9 p -86.33 135.02 33.68 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.17 -1.418 . . . . 71.31 107.17 165.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.453 ' HB3' ' HD3' ' A' ' 185' ' ' ARG . . . -170.14 -160.1 0.22 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 119.413 -0.327 . . . . 54.21 110.433 -161.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -52.78 -157.07 0.01 OUTLIER Glycine 0 CA--C 1.544 1.89 0 N-CA-C 115.37 0.908 . . . . 45.34 115.37 173.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . 0.728 ' HG3' ' HA ' ' A' ' 155' ' ' TYR . 4.6 pt-20 -53.05 99.8 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.828 0.851 . . . . 63.31 112.085 -173.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.453 ' HD3' ' HB3' ' A' ' 182' ' ' ALA . 0.0 OUTLIER -169.33 118.67 0.66 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.537 0.735 . . . . 75.35 110.22 171.659 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.668 ' HA ' ' HA ' ' A' ' 127' ' ' THR . 25.0 m -148.91 168.37 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 C-N-CA 124.239 1.016 . . . . 52.13 109.326 158.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.44 -178.57 3.57 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.121 0.969 . . . . 74.11 111.175 177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -144.21 -47.74 0.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.051 -1.463 . . . . 15.41 107.051 -174.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.53 -45.12 55.55 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.736 -1.12 . . . . 64.34 109.639 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.49 -30.27 27.3 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.292 0.637 . . . . 51.53 110.47 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--O 1.254 1.308 0 N-CA-C 109.305 -0.628 . . . . 61.43 109.305 177.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptp . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 109.778 -0.452 . . . . 64.51 109.778 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.581 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 35.5 t -159.97 -53.94 0.01 OUTLIER Pre-proline 0 CA--C 1.56 1.338 0 C-N-CA 123.322 0.649 . . . . 52.43 109.702 175.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.581 ' HD3' ' HB3' ' A' ' 2' ' ' SER . 3.0 Cg_exo -78.88 162.13 26.73 Favored 'Trans proline' 0 C--N 1.392 2.827 0 C-N-CA 121.752 1.635 . . . . 72.34 110.541 165.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.16 137.35 95.65 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 109.369 -0.604 . . . . 63.02 109.369 173.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.437 ' HB2' ' O ' ' A' ' 146' ' ' GLU . 16.5 Cg_exo -54.34 126.22 21.5 Favored 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 123.096 2.531 . . . . 64.22 112.189 -175.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 63.9 mt -167.74 -55.93 0.01 OUTLIER Pre-proline 0 CA--C 1.561 1.373 0 C-N-CA 126.189 1.796 . . . . 55.21 108.759 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD3' ' HB2' ' A' ' 6' ' ' LEU . 40.8 Cg_endo -85.29 30.12 0.52 Allowed 'Trans proline' 0 C--N 1.408 3.659 0 C-N-CA 122.504 2.136 . . . . 53.43 112.539 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.5 m -67.85 -26.24 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 115.625 -0.716 . . . . 53.45 109.548 170.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.5 t -95.23 31.61 1.9 Allowed 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.931 1.292 . . . . 75.31 110.67 169.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 40.16 -150.15 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.846 1.425 . . . . 74.54 114.846 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -111.21 152.38 27.16 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 106.737 -1.579 . . . . 53.14 106.737 165.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -36.26 -50.66 0.75 Allowed 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 115.803 1.779 . . . . 64.51 115.803 -163.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -74.85 -45.41 43.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.799 0.44 . . . . 42.44 110.753 -174.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.74 -33.01 74.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.102 0.561 . . . . 72.44 110.371 178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.527 ' O ' HG13 ' A' ' 19' ' ' ILE . 21.5 t90 -62.98 -58.33 7.71 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.232 1.413 . . . . 71.45 108.793 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -50.74 -46.08 59.06 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 124.711 1.257 . . . . 74.34 111.046 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.36 96.94 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.297 0.639 . . . . 60.13 111.891 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -65.33 -40.29 93.48 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.877 0.471 . . . . 54.14 110.806 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 15' ' ' TRP . 63.3 mt -61.29 -49.32 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 123.893 0.745 . . . . 43.41 109.896 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.99 -34.93 79.22 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 124.165 0.916 . . . . 72.51 111.445 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.07 -35.26 77.91 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.217 0.607 . . . . 30.21 110.514 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -70.98 -37.6 72.75 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.601 0.761 . . . . 73.31 110.285 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.541 ' HD2' ' HB2' ' A' ' 51' ' ' TYR . 18.4 mmt180 -63.58 -45.55 89.88 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 109.512 -0.551 . . . . 72.21 109.512 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.85 -38.8 92.19 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.845 -0.616 . . . . 63.22 110.893 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.56 -50.76 72.05 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 123.913 0.885 . . . . 62.15 112.004 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.1 -50.52 54.39 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.644 -0.502 . . . . 74.22 109.644 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -36.57 37.63 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.367 0.667 . . . . 52.13 112.522 178.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -84.5 -33.81 23.48 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 118.899 -0.572 . . . . 74.22 111.432 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -56.05 -62.07 1.96 Allowed 'General case' 0 N--CA 1.499 1.975 0 C-N-CA 123.782 0.833 . . . . 75.32 111.948 -173.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.53 -13.53 61.05 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.727 0.64 . . . . 71.3 112.727 -176.065 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.28 -39.05 13.75 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.785 0.434 . . . . 64.13 111.137 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.3 p -112.48 -58.51 2.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.785 0.434 . . . . 74.15 111.501 -171.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -63.88 133.65 53.7 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 121.394 0.616 . . . . 75.13 112.6 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.64 -24.86 67.72 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.485 1.514 . . . . 51.33 113.736 -164.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -70.03 -14.39 62.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.536 0.939 . . . . 74.15 113.536 -167.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.1 m -156.56 85.72 3.02 Favored Pre-proline 0 N--CA 1.479 0.997 0 N-CA-C 108.104 -1.073 . . . . 73.23 108.104 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -84.01 125.35 3.59 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 122.353 2.035 . . . . 72.2 112.563 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.454 HG13 ' HB2' ' A' ' 30' ' ' LEU . 52.8 mt -69.17 129.7 91.79 Favored Pre-proline 0 N--CA 1.481 1.109 0 N-CA-C 108.697 -0.853 . . . . 61.55 108.697 172.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -47.22 136.36 18.84 Favored 'Trans proline' 0 C--N 1.386 2.514 0 C-N-CA 123.673 2.915 . . . . 63.03 113.225 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -51.14 -32.84 41.5 Favored 'Trans proline' 0 C--N 1.386 2.521 0 C-N-CA 124.123 3.215 . . . . 73.34 114.696 -170.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.84 -51.19 65.8 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.961 0.504 . . . . 55.13 112.022 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -71.46 -36.39 71.2 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.323 0.649 . . . . 62.21 110.377 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' HA ' ' HB2' ' A' ' 46' ' ' PHE . 57.3 ttt-85 -71.99 -22.74 61.38 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.914 -1.039 . . . . 75.53 111.13 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.31 -44.94 72.5 Favored Glycine 0 C--N 1.347 1.183 0 N-CA-C 111.477 -0.649 . . . . 55.44 111.477 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.21 27.98 4.32 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.905 0.882 . . . . 74.52 111.274 174.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.558 ' HB2' ' HA ' ' A' ' 43' ' ' ARG . 86.9 t80 -64.96 104.32 0.85 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.082 0.553 . . . . 75.2 109.563 176.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -93.13 -17.48 23.72 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.015 -0.993 . . . . 71.22 108.761 168.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.55 -147.37 18.8 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 108.352 -1.899 . . . . 61.13 108.352 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -152.7 170.6 19.85 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.003 0.921 . . . . 63.21 108.693 176.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -73.65 113.04 10.33 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.438 -0.949 . . . . 71.04 108.438 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.541 ' HB2' ' HD2' ' A' ' 23' ' ' ARG . 19.7 p90 -119.86 149.88 41.37 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.563 -1.273 . . . . 75.05 107.563 173.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -84.98 147.67 26.59 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.758 0.423 . . . . 53.33 110.369 -171.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' N ' ' HA2' ' A' ' 183' ' ' GLY . 28.7 t70 -97.0 159.37 14.95 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.143 0.577 . . . . 70.22 110.08 -172.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.9 mp -74.36 138.79 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 124.168 0.987 . . . . 72.44 109.903 -172.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -162.59 128.61 3.43 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.559 0.537 . . . . 74.54 110.186 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.64 -23.09 45.98 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.915 0.886 . . . . 71.12 112.791 -174.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -86.91 -25.64 24.31 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.624 0.37 . . . . 70.33 110.677 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -89.9 19.1 5.05 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.385 0.674 . . . . 70.33 111.375 174.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 38.0 ptt180 -113.5 110.95 21.11 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 107.559 -1.274 . . . . 62.35 107.559 159.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.0 m -103.13 158.6 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 N-CA-C 109.546 -0.539 . . . . 74.43 109.546 177.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.02 119.79 35.13 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 107.982 -1.118 . . . . 55.35 107.982 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -115.52 142.31 46.89 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.261 1.024 . . . . 55.34 110.158 -172.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -74.99 114.47 13.51 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.496 -0.557 . . . . 75.12 109.496 177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -78.56 119.15 21.43 Favored 'General case' 0 C--O 1.251 1.143 0 N-CA-C 108.56 -0.904 . . . . 71.54 108.56 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -116.48 106.58 48.37 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 106.969 -1.493 . . . . 64.41 106.969 168.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.35 148.68 92.64 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 121.862 1.708 . . . . 72.25 110.324 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.36 101.13 0.54 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.893 -0.78 . . . . 71.33 108.893 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -57.75 -31.15 66.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.914 1.286 . . . . 71.31 111.035 -177.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -139.29 95.71 9.14 Favored Pre-proline 0 CA--C 1.556 1.191 0 CA-C-N 115.121 -0.945 . . . . 73.43 108.487 167.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.18 128.92 17.27 Favored 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 122.974 2.449 . . . . 61.4 112.477 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -124.29 144.9 49.72 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.753 0.821 . . . . 73.41 110.123 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.91 114.09 21.43 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.04 -0.726 . . . . 73.05 109.04 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 20.4 m -105.19 157.66 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.052 0.941 . . . . 70.53 109.188 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 31.9 mt-10 -112.23 106.27 14.8 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.595 0.758 . . . . 63.21 109.274 -174.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.07 122.66 39.14 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.022 -1.473 . . . . 75.11 107.022 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -61.39 146.92 46.64 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 109.191 -0.67 . . . . 50.22 109.191 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 167' ' ' CYS . 63.8 p -114.35 158.61 21.25 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.266 0.484 . . . . 65.21 110.527 -174.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.0 p -73.64 -20.54 60.55 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 115.274 -0.876 . . . . 72.0 110.152 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 165' ' ' PHE . 75.8 ttt180 -76.84 -26.74 54.65 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.706 1.202 . . . . 70.33 111.423 175.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.01 -122.24 2.06 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 118.292 -1.282 . . . . 75.32 111.902 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -43.9 140.79 4.72 Favored 'Trans proline' 0 C--N 1.39 2.741 0 C-N-CA 124.536 3.49 . . . . 62.41 114.908 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.424 ' HB2' ' HB3' ' A' ' 74' ' ' GLU . 36.4 Cg_endo -61.52 146.82 96.66 Favored 'Trans proline' 0 C--N 1.381 2.267 0 C-N-CA 122.947 2.431 . . . . 73.23 114.114 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.78 132.36 47.57 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.763 1.225 . . . . 74.31 108.357 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 37.9 mt-10 -89.64 128.73 36.1 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.891 0.476 . . . . 74.03 110.564 -177.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.413 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 64.0 m-85 -131.42 136.18 47.79 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.463 -0.94 . . . . 72.21 108.463 176.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.9 m -82.53 142.08 32.11 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 108.881 -0.785 . . . . 64.22 108.881 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -78.99 113.5 17.16 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.567 -0.531 . . . . 71.14 109.567 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.76 -42.84 17.46 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.504 0.722 . . . . 73.25 110.701 176.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -163.6 176.03 10.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.439 -0.801 . . . . 74.23 111.898 -175.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.6 126.63 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 125.207 1.403 . . . . 73.13 107.608 167.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.46 118.4 33.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.814 0.846 . . . . 62.54 109.672 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.37 113.75 4.69 Favored Glycine 0 C--N 1.34 0.778 0 N-CA-C 110.286 -1.125 . . . . 71.04 110.286 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -135.26 -174.98 3.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.617 0.767 . . . . 73.25 109.384 -172.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -138.39 159.25 42.55 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.207 -1.035 . . . . 44.23 108.207 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.5 tp -171.48 135.16 0.9 Allowed 'General case' 0 C--O 1.247 0.93 0 N-CA-C 108.316 -0.994 . . . . 64.22 108.316 -175.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.16 -103.28 0.83 Allowed Glycine 0 C--N 1.346 1.116 0 O-C-N 123.237 0.336 . . . . 74.34 112.689 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -121.86 3.7 10.0 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.382 1.073 . . . . 54.43 110.875 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.0 m -128.49 135.73 49.84 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.73 0.641 . . . . 61.53 112.73 -167.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -93.33 110.39 21.93 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 108.111 -1.07 . . . . 74.34 108.111 168.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -130.52 159.45 37.07 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.647 0.379 . . . . 70.11 110.38 -166.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 p -113.83 156.62 23.56 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.297 0.639 . . . . 71.21 111.067 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.4 tp -140.49 117.75 11.33 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.873 -1.158 . . . . 62.44 107.873 -175.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.8 m -87.12 125.94 34.46 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 118.326 0.512 . . . . 41.53 110.196 -173.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.437 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -99.23 127.3 45.2 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.52 1.128 . . . . 65.41 109.958 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.413 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 57.3 m-85 -107.58 145.23 33.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.565 0.746 . . . . 70.33 111.572 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.534 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 46.2 ttt85 -94.88 122.0 37.06 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.772 1.629 . . . . 74.31 108.719 175.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.612 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 48.5 t -107.74 139.94 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.869 1.268 . . . . 73.4 109.746 -176.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -55.47 102.94 0.08 Allowed 'General case' 0 CA--C 1.561 1.388 0 CA-C-O 121.791 0.805 . . . . 73.11 111.482 173.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.69 27.58 29.07 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.016 -0.993 . . . . 45.24 114.099 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.612 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.3 OUTLIER -80.08 166.81 21.14 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 109.606 -0.516 . . . . 72.32 109.606 176.072 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.2 t -95.52 -42.74 8.29 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 121.572 -0.705 . . . . 74.33 109.356 169.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.4 m -135.09 167.67 20.54 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.61 1.164 . . . . 64.32 109.519 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.0 mt -75.97 147.72 38.64 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.335 0.654 . . . . 73.12 110.425 -165.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.76 105.13 16.43 Favored 'General case' 0 C--O 1.233 0.203 0 O-C-N 124.887 1.367 . . . . 74.22 107.648 -176.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 104' ' ' ALA . 35.2 t -106.92 94.51 10.75 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 108.691 -0.855 . . . . 73.12 108.691 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.95 114.51 4.04 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 121.906 1.737 . . . . 71.52 108.488 169.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.47 ' HA ' HD22 ' A' ' 174' ' ' ASN . 10.1 p90 -133.75 172.35 12.89 Favored 'General case' 0 C--O 1.245 0.84 0 C-N-CA 123.583 0.753 . . . . 74.12 109.272 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.45 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.3 p -138.22 172.5 12.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.464 -1.244 . . . . 74.34 108.596 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 178' ' ' ALA . 3.8 p30 -143.63 -163.72 1.72 Allowed 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 124.053 0.941 . . . . 62.33 108.883 177.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 179' ' ' ALA . 51.1 mt-10 -76.12 -32.97 59.43 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 122.161 -0.337 . . . . 63.53 111.507 175.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.536 HG23 ' HB1' ' A' ' 179' ' ' ALA . 0.2 OUTLIER -70.61 -25.48 63.06 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.264 0.626 . . . . 62.1 111.975 -175.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.9 p -68.1 -50.84 52.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.373 0.669 . . . . 72.22 109.882 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.78 -28.38 68.97 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.354 -0.839 . . . . 64.45 110.197 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 121' ' ' THR . 25.5 t70 -79.25 -9.27 59.53 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 125.092 1.357 . . . . 73.42 111.369 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 85.6 -7.6 75.88 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 115.039 0.776 . . . . 71.34 115.039 173.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -79.9 -15.34 57.52 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.983 0.513 . . . . 73.52 111.502 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.2 p -131.17 173.8 10.67 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.075 0.95 . . . . 72.11 108.49 164.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -68.84 108.58 3.51 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.257 0.623 . . . . 75.11 112.209 -169.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.7 -40.23 83.05 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.252 1.421 . . . . 64.2 113.553 -171.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -78.81 -1.86 36.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.166 0.586 . . . . 72.45 111.79 -176.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 138.87 157.65 7.42 Favored Glycine 0 C--N 1.349 1.281 0 N-CA-C 112.752 -0.139 . . . . 61.11 112.752 169.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.662 HH21 ' HB3' ' A' ' 154' ' ' ALA . 11.2 ptm180 -135.68 141.8 45.02 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.124 -1.065 . . . . 75.15 108.124 169.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -94.67 160.27 14.7 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.802 0.441 . . . . 74.31 110.389 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.434 HD22 HG22 ' A' ' 136' ' ' VAL . 1.0 OUTLIER -132.2 129.52 39.84 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.731 -1.211 . . . . 73.13 107.731 173.121 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.53 104.05 16.0 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 107.776 -1.194 . . . . 75.23 107.776 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.434 HG22 HD22 ' A' ' 134' ' ' LEU . 62.1 t -115.75 124.68 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 122.93 0.492 . . . . 64.01 110.89 -170.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.5 117.82 69.64 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 108.804 -0.813 . . . . 63.54 108.804 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.11 -30.47 16.17 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.49 2.127 . . . . 74.42 113.321 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 59.38 26.12 14.96 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.252 1.021 . . . . 54.3 112.303 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 51.73 40.58 49.01 Favored Glycine 0 C--N 1.35 1.312 0 CA-C-N 116.045 -0.525 . . . . 75.45 113.578 -168.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.03 148.42 51.03 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.06 0.544 . . . . 71.22 111.334 -176.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.02 170.05 8.54 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 108.838 -0.801 . . . . 75.2 108.838 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -59.73 104.2 0.54 Allowed Glycine 0 C--N 1.348 1.207 0 O-C-N 123.405 0.441 . . . . 63.24 112.809 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.89 2.63 32.05 Favored Glycine 0 N--CA 1.467 0.737 0 CA-C-O 119.432 -0.649 . . . . 74.12 114.535 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.87 175.74 10.16 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 108.412 -0.958 . . . . 73.42 108.412 165.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 5' ' ' PRO . 12.7 pt-20 -128.45 145.63 51.04 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.168 0.509 . . . . 73.31 111.124 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.06 150.42 32.74 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 C-N-CA 124.934 1.294 . . . . 72.4 107.573 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.34 117.02 19.94 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.894 0.477 . . . . 63.13 110.755 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.0 mt -92.29 86.54 5.75 Favored 'General case' 0 C--O 1.248 1.024 0 N-CA-C 107.85 -1.167 . . . . 75.52 107.85 170.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 1.4 m-20 -81.22 95.76 7.04 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 113.94 -1.482 . . . . 74.45 110.166 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -66.76 -22.39 66.04 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.386 -0.598 . . . . 71.13 109.386 172.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -71.57 -25.42 62.19 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.416 -0.811 . . . . 74.13 110.838 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.494 ' HA ' HH22 ' A' ' 23' ' ' ARG . 1.6 mm? -81.26 -25.52 36.53 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.441 0.697 . . . . 62.34 112.14 176.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.662 ' HB3' HH21 ' A' ' 132' ' ' ARG . . . -47.7 150.46 1.03 Allowed 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.824 1.327 . . . . 62.31 113.624 -170.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -119.05 169.03 10.26 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.108 0.963 . . . . 73.32 110.91 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -102.46 151.03 38.14 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.076 0.951 . . . . 72.23 110.371 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -64.18 157.05 55.79 Favored 'Trans proline' 0 C--N 1.373 1.852 0 C-N-CA 122.838 2.359 . . . . 73.33 113.059 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -65.97 -28.67 69.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.806 0.842 . . . . 63.52 112.704 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 167' ' ' CYS . 11.9 m -62.33 -24.95 67.62 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.496 0.718 . . . . 75.53 112.47 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -74.58 -1.79 23.06 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.147 0.979 . . . . 73.31 112.938 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -91.24 0.35 57.54 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.737 0.815 . . . . 75.05 110.632 -175.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 93.01 32.64 7.78 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 116.218 -0.446 . . . . 44.24 112.599 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.16 166.93 25.61 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 112.422 -0.271 . . . . 43.13 112.422 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 67.2 m -91.92 70.59 5.55 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.968 0.907 . . . . 52.44 109.949 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 76.6 m-85 -95.65 179.29 5.18 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 114.969 -1.014 . . . . 73.52 108.667 173.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.408 ' OG ' ' HD3' ' A' ' 79' ' ' ARG . 11.1 m -102.38 114.8 29.29 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.269 0.628 . . . . 73.41 109.643 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 77' ' ' THR . 34.6 t -104.23 113.97 27.88 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.337 -0.986 . . . . 73.2 108.337 171.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -70.92 104.51 2.97 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.415 -0.957 . . . . 70.43 108.415 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.13 134.15 84.24 Favored Pre-proline 0 CA--C 1.548 0.904 0 O-C-N 124.352 1.033 . . . . 72.4 110.385 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.45 ' HG3' HG23 ' A' ' 118' ' ' THR . 93.0 Cg_endo -75.99 133.14 14.82 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.343 2.028 . . . . 64.5 111.715 -175.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.3 152.91 36.36 Favored 'Trans proline' 0 C--N 1.374 1.881 0 C-N-CA 122.391 2.06 . . . . 43.5 112.547 173.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -58.99 -26.76 64.78 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.799 0.84 . . . . 44.21 112.144 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.31 -25.06 66.87 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.484 1.114 . . . . 73.33 112.579 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.47 HD22 ' HA ' ' A' ' 117' ' ' PHE . 0.8 OUTLIER -118.72 29.26 7.83 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.697 0.76 . . . . 73.15 110.83 -177.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -92.2 102.3 14.81 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 107.325 -1.361 . . . . 73.3 107.325 165.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.55 126.66 92.94 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.637 0.775 . . . . 53.44 109.367 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -81.48 43.61 1.56 Allowed 'Trans proline' 0 C--N 1.371 1.728 0 C-N-CA 122.756 2.304 . . . . 51.31 112.483 174.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -143.21 148.7 36.89 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.498 1.519 . . . . 62.14 107.053 176.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.536 ' HB1' HG23 ' A' ' 121' ' ' THR . . . -94.75 122.59 37.52 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.145 0.578 . . . . 64.04 109.985 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.73 104.76 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 108.182 -1.044 . . . . 75.21 108.182 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . 0.518 ' HB ' HG21 ' A' ' 121' ' ' THR . 10.1 t -117.67 113.03 21.3 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 108.835 -0.802 . . . . 75.42 108.835 171.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -155.29 112.7 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 105.84 -1.911 . . . . 71.11 105.84 166.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.493 ' HA2' ' N ' ' A' ' 53' ' ' ASP . . . 170.38 -171.82 43.76 Favored Glycine 0 C--N 1.34 0.762 0 O-C-N 123.512 0.508 . . . . 74.11 113.424 -176.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -76.38 122.86 25.08 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 106.637 -1.616 . . . . 64.42 106.637 155.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 152.94 27.67 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.868 0.867 . . . . 70.44 111.926 -173.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 84.9 t -113.33 147.7 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 107.302 -1.37 . . . . 65.32 107.302 -170.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 191' ' ' GLU . 14.4 m-20 -108.33 121.5 45.04 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.402 0.681 . . . . 74.04 110.786 -173.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -79.46 40.13 0.42 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.122 0.969 . . . . 53.14 111.532 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -145.26 -53.78 0.29 Allowed 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.02 0.928 . . . . 72.21 109.266 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.29 -44.55 52.28 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.685 -0.689 . . . . 72.13 111.836 -175.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 187' ' ' ASP . 5.6 mm-40 . . . . . 0 N--CA 1.484 1.273 0 O-C-N 123.618 0.574 . . . . 74.53 111.76 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 110.232 -0.284 . . . . 72.23 110.232 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.452 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 42.4 t -175.92 -46.14 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 124.55 1.14 . . . . 62.42 110.012 -176.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 2' ' ' SER . 39.0 Cg_exo -65.24 176.74 3.0 Favored 'Trans proline' 0 C--N 1.393 2.912 0 C-N-CA 122.241 1.961 . . . . 75.21 112.521 168.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.9 tt -62.6 136.12 95.94 Favored Pre-proline 0 CA--C 1.568 1.648 0 CA-C-N 115.801 -0.636 . . . . 74.23 109.29 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -66.56 127.16 16.7 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 121.868 1.712 . . . . 73.31 110.776 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mt 179.52 -47.43 0.0 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.814 1.246 . . . . 71.33 108.359 -166.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -79.79 27.1 0.55 Allowed 'Trans proline' 0 C--N 1.402 3.346 0 C-N-CA 122.215 1.943 . . . . 75.21 112.384 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -66.4 -17.15 22.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 C-N-CA 123.844 0.857 . . . . 72.15 110.346 171.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.45 ' HB ' ' HB3' ' A' ' 148' ' ' ALA . 12.4 t -85.6 30.26 0.65 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 124.723 1.209 . . . . 70.12 110.662 168.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 44.48 -150.34 0.05 Allowed 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 114.073 1.138 . . . . 71.13 114.073 -173.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -120.87 150.27 41.31 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 106.072 -1.825 . . . . 71.01 106.072 172.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -38.47 -44.71 0.96 Allowed 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 115.981 1.845 . . . . 63.44 115.981 -163.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -67.66 -53.29 29.01 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.492 0.317 . . . . 73.23 110.702 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -62.56 -33.98 76.03 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.863 0.865 . . . . 74.01 111.461 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.457 ' O ' HG13 ' A' ' 19' ' ' ILE . 31.5 t90 -69.0 -52.74 25.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.835 1.254 . . . . 75.31 109.816 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.6 ttp-105 -58.14 -37.09 73.97 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.208 0.942 . . . . 74.41 110.325 175.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.31 90.63 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.692 0.62 . . . . 51.24 112.281 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 18.4 mmt180 -63.55 -48.25 78.26 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 118.389 0.541 . . . . 74.02 110.252 176.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.604 HG21 HG13 ' A' ' 54' ' ' ILE . 33.2 mt -60.69 -48.14 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 123.597 0.56 . . . . 62.1 110.841 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.79 -43.95 73.32 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.652 1.22 . . . . 72.52 111.645 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.73 97.18 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.515 0.726 . . . . 75.12 111.667 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -76.78 -26.83 54.92 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.553 0.741 . . . . 74.45 110.992 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -71.57 -53.47 13.67 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.136 -1.061 . . . . 65.23 108.136 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.98 98.02 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 124.857 1.348 . . . . 72.24 111.032 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.47 -58.3 8.7 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 123.959 0.787 . . . . 74.15 110.655 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -30.25 70.56 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.598 0.562 . . . . 75.13 111.242 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.571 ' HA ' HD21 ' A' ' 49' ' ' LEU . 11.6 t70 -66.66 -55.61 14.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.149 0.579 . . . . 75.23 109.973 177.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HA ' ' HZ ' ' A' ' 46' ' ' PHE . 11.4 pt-20 -79.81 -13.94 59.05 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 118.96 -0.543 . . . . 75.12 111.693 -176.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 35.3 t80 -49.47 -55.43 13.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.847 1.259 . . . . 71.42 111.795 -170.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.768 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.96 -11.56 60.83 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 114.362 -1.29 . . . . 53.24 111.37 -172.13 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.57 -56.33 3.06 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.67 0.788 . . . . 43.34 110.934 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.5 p -105.31 9.16 33.97 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.323 1.049 . . . . 61.34 112.95 -166.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' PHE . 10.0 m170 -126.64 119.41 26.97 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.16 -0.681 . . . . 70.0 109.16 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.26 -14.21 60.17 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.116 1.366 . . . . 54.23 112.81 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -61.07 -33.23 73.01 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.697 0.799 . . . . 71.15 112.408 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 69.4 m -159.26 92.62 1.85 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 107.904 -1.147 . . . . 74.53 107.904 -173.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.69 149.17 60.52 Favored 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 122.384 2.056 . . . . 75.21 112.369 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.768 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 16.0 tt -87.91 139.82 31.02 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 107.985 -1.117 . . . . 61.4 107.985 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.64 141.72 91.16 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.107 1.871 . . . . 62.15 111.672 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -59.48 -27.42 84.93 Favored 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 123.421 2.747 . . . . 54.32 114.524 -166.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.36 83.0 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.267 0.227 . . . . 72.22 110.452 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.506 ' HB2' HG12 ' A' ' 38' ' ' ILE . 31.6 m-20 -73.46 -37.6 65.74 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 122.863 0.465 . . . . 74.04 110.05 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -57.51 -32.43 67.03 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.31 1.044 . . . . 74.1 111.664 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.67 -44.52 96.27 Favored Glycine 0 C--N 1.345 1.074 0 O-C-N 123.541 0.526 . . . . 74.45 112.086 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.58 15.88 15.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.478 0.711 . . . . 72.02 112.198 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.431 ' HZ ' ' HA ' ' A' ' 28' ' ' GLU . 82.9 t80 -74.14 103.23 4.51 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.138 0.494 . . . . 70.44 110.106 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -139.82 11.34 2.45 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.607 1.163 . . . . 75.23 109.083 173.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 130.65 145.92 5.8 Favored Glycine 0 C--N 1.345 1.029 0 N-CA-C 110.586 -1.005 . . . . 61.5 110.586 -169.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -131.96 -169.21 2.17 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.749 0.819 . . . . 75.4 110.576 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -73.31 119.68 17.88 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.66 0.743 . . . . 55.3 112.9 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -147.95 142.98 27.0 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 106.912 -1.514 . . . . 71.33 106.912 161.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.631 ' HB2' ' HA2' ' A' ' 183' ' ' GLY . 14.6 m-85 -97.28 172.01 8.06 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.725 0.41 . . . . 64.12 110.347 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.33 171.33 10.11 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.946 0.779 . . . . 74.41 111.692 -171.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.604 HG13 HG21 ' A' ' 19' ' ' ILE . 3.6 mp -81.61 131.78 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 114.852 -1.067 . . . . 72.43 109.378 175.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -124.01 110.47 14.82 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.821 -0.807 . . . . 72.42 108.821 171.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.15 -21.47 56.53 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.112 0.965 . . . . 24.21 112.342 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.5 t -80.85 -19.33 44.78 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.875 0.47 . . . . 52.44 111.012 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.576 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 22.8 m-85 -85.79 16.81 3.75 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.456 0.702 . . . . 75.24 111.405 170.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -85.89 97.79 10.42 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 107.765 -1.198 . . . . 60.31 107.765 167.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.422 HG11 HD13 ' A' ' 95' ' ' LEU . 29.2 m -101.26 142.97 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 109.06 -0.719 . . . . 72.04 109.06 174.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.75 124.82 29.95 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.41 -0.959 . . . . 72.04 108.41 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.66 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -110.81 118.86 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.511 -0.551 . . . . 74.24 109.511 -175.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -74.25 111.94 9.92 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.535 -0.913 . . . . 72.21 108.535 -172.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -78.18 117.39 19.42 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-N 114.875 -1.057 . . . . 75.32 110.029 -172.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -118.92 114.47 35.37 Favored Pre-proline 0 C--O 1.217 -0.627 0 N-CA-C 107.324 -1.361 . . . . 45.22 107.324 168.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.23 152.87 80.08 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 121.853 1.702 . . . . 41.54 110.985 175.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.52 117.22 7.69 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.051 -0.722 . . . . 53.24 109.051 174.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -54.49 -35.91 63.61 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.306 1.004 . . . . 73.12 110.926 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -135.88 101.71 10.46 Favored Pre-proline 0 C--O 1.245 0.832 0 CA-C-N 115.133 -0.939 . . . . 75.42 108.937 168.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.75 124.09 11.12 Favored 'Trans proline' 0 C--N 1.372 1.787 0 C-N-CA 122.384 2.056 . . . . 71.04 111.862 173.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -132.85 156.55 46.98 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.706 0.802 . . . . 71.02 109.897 -174.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.13 108.98 13.03 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 123.216 0.606 . . . . 75.03 109.573 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.3 m -105.89 151.88 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 108.102 -1.073 . . . . 34.3 108.102 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 119.98 41.11 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.922 -0.77 . . . . 73.23 108.922 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.429 HD23 ' HD1' ' A' ' 85' ' ' TYR . 1.9 mm? -103.08 128.29 50.02 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.034 -1.469 . . . . 74.15 107.034 174.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.73 150.28 48.76 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.187 -0.671 . . . . 74.23 109.187 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.1 p -117.11 172.53 7.22 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 121.086 0.469 . . . . 71.51 110.761 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.5 p -89.79 -31.56 17.34 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.959 -1.018 . . . . 70.45 110.267 176.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' ' 165' ' ' PHE . 37.5 ttt180 -73.77 -30.73 62.94 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.885 0.874 . . . . 74.51 112.499 -177.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.09 -122.74 1.09 Allowed Glycine 0 C--N 1.345 1.069 0 CA-C-O 118.701 -1.055 . . . . 71.12 113.04 -174.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -62.92 155.13 62.18 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 123.617 2.878 . . . . 74.51 113.204 -173.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.59 132.74 36.64 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.543 2.162 . . . . 73.0 112.472 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.49 117.23 27.29 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.174 -0.921 . . . . 51.42 108.879 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -89.9 130.23 36.15 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.571 0.348 . . . . 62.54 110.536 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.461 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 81.6 m-85 -131.53 153.37 49.9 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.093 0.957 . . . . 64.24 109.09 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.3 m -91.39 119.41 31.37 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 109.166 -0.679 . . . . 74.41 109.166 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -68.13 111.92 4.77 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.86 0.754 . . . . 74.11 109.3 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -94.71 -39.64 10.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.0 0.52 . . . . 74.2 111.634 -171.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . . . -151.47 170.02 20.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.487 0.66 . . . . 43.22 110.612 -172.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.27 115.09 13.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 C-N-CA 125.866 1.666 . . . . 65.24 106.817 172.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.66 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 2.6 mm? -90.16 128.65 36.4 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.427 0.691 . . . . 75.14 109.536 177.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.23 121.52 4.46 Favored Glycine 0 C--O 1.218 -0.848 0 N-CA-C 111.042 -0.823 . . . . 61.04 111.042 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.592 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 54.3 p90 -144.49 -173.74 4.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.24 0.616 . . . . 74.03 109.459 -172.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -133.15 146.73 51.84 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.076 0.465 . . . . 71.44 110.17 170.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.422 HD13 HG11 ' A' ' 60' ' ' VAL . 38.7 tp -142.83 135.22 27.54 Favored 'General case' 0 C--O 1.256 1.434 0 N-CA-C 107.066 -1.457 . . . . 74.32 107.066 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.48 -97.57 0.62 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 112.283 -0.327 . . . . 54.11 112.283 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -134.72 5.02 3.37 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.481 1.112 . . . . 52.34 110.303 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.8 m -128.7 149.98 50.45 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 112.146 0.425 . . . . 63.24 112.146 -168.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -87.97 124.53 33.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.517 -0.765 . . . . 74.22 109.443 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.461 ' CE1' ' HD2' ' A' ' 177' ' ' PRO . 96.3 m-70 -121.53 136.48 54.95 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.963 0.905 . . . . 70.33 109.017 -177.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 m -127.95 119.49 25.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.295 0.638 . . . . 74.44 109.33 -175.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -114.22 139.07 49.68 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.813 1.245 . . . . 64.52 108.595 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.3 m -90.74 130.48 36.72 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.386 -0.598 . . . . 62.53 109.386 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . . . -98.01 121.9 40.48 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.728 0.811 . . . . 62.35 108.92 175.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.461 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 65.6 m-85 -97.62 168.77 10.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.261 -0.644 . . . . 63.4 109.261 175.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.58 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 22.0 ttt180 -115.67 133.3 56.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.691 1.196 . . . . 75.4 108.066 -175.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.742 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 28.6 t -97.56 113.7 32.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 N-CA-C 107.054 -1.462 . . . . 64.41 107.054 166.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -55.58 125.98 23.39 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 122.932 0.493 . . . . 73.23 110.797 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 94.79 -34.01 5.02 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.627 -0.715 . . . . 55.13 112.327 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.742 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 11.1 tp10 -83.89 129.37 34.93 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.453 0.701 . . . . 65.31 110.055 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -75.56 -22.79 56.72 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.546 0.739 . . . . 74.45 111.831 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.2 m -85.91 140.72 30.12 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 122.848 0.459 . . . . 63.25 110.017 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.3 mt -82.14 141.51 33.02 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.282 0.633 . . . . 62.21 109.303 174.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -100.42 110.63 22.84 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.222 -1.029 . . . . 74.41 108.222 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 53.1 t -107.85 93.18 10.11 Favored Pre-proline 0 N--CA 1.47 0.536 0 N-CA-C 108.655 -0.868 . . . . 71.21 108.655 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.97 120.36 5.01 Favored 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.202 1.935 . . . . 52.32 109.749 171.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -138.0 171.89 13.75 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.966 0.906 . . . . 74.14 110.212 -176.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -138.61 169.01 18.55 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.67 1.188 . . . . 64.3 108.083 172.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.436 ' HA ' ' O ' ' A' ' 176' ' ' VAL . 3.8 p-10 -156.04 -163.29 1.45 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 123.693 0.62 . . . . 63.41 109.731 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -78.56 -35.15 46.41 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.727 0.694 . . . . 73.32 111.408 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.5 m -59.61 -38.41 81.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.641 0.777 . . . . 73.34 111.333 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.554 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 57.4 p -66.02 -42.17 90.02 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 116.026 -0.533 . . . . 74.53 111.168 174.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.54 -15.2 62.75 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.685 0.794 . . . . 73.02 112.852 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -72.38 -22.42 61.14 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.849 0.314 . . . . 74.32 111.849 172.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.08 9.12 87.38 Favored Glycine 0 C--N 1.348 1.209 0 N-CA-C 111.177 -0.769 . . . . 64.44 111.177 -163.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -78.84 -28.59 44.34 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.316 1.446 . . . . 75.13 109.581 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.493 HG21 ' HB3' ' A' ' 184' ' ' GLU . 27.2 p -137.11 -178.13 5.07 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.449 1.5 . . . . 74.33 107.59 164.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.478 ' HB2' ' HD2' ' A' ' 132' ' ' ARG . 15.1 m-85 -80.06 110.38 15.4 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 112.91 0.708 . . . . 75.43 112.91 -169.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.554 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 13.6 pt-20 -66.37 -17.95 65.07 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.374 1.07 . . . . 72.01 112.986 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.412 ' O ' HD13 ' A' ' 169' ' ' LEU . 72.3 m80 -73.38 -2.26 21.54 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.602 0.361 . . . . 75.1 111.866 177.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.471 ' O ' ' SG ' ' A' ' 167' ' ' CYS . . . 97.95 144.01 16.08 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 111.601 -0.6 . . . . 60.35 111.601 166.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.478 ' HD2' ' HB2' ' A' ' 128' ' ' TYR . 2.6 mmp_? -131.72 159.23 39.0 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.602 1.161 . . . . 74.44 108.572 -166.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.3 166.47 12.29 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.543 0.687 . . . . 74.45 110.796 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.4 tt -140.63 122.36 15.33 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 106.288 -1.745 . . . . 71.11 106.288 164.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -92.04 108.11 19.7 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.394 -0.965 . . . . 74.43 108.394 -176.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 51.9 t -113.17 127.16 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 115.675 -0.693 . . . . 74.52 109.831 -169.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.08 107.44 57.13 Favored Pre-proline 0 C--O 1.24 0.585 0 N-CA-C 107.947 -1.131 . . . . 73.33 107.947 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.49 ' HA ' HG11 ' A' ' 147' ' ' VAL . 88.6 Cg_endo -77.97 -8.25 16.59 Favored 'Trans proline' 0 C--N 1.364 1.374 0 C-N-CA 122.508 2.139 . . . . 64.21 113.636 -177.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.74 -90.76 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.172 1.389 . . . . 73.4 111.032 -174.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -141.74 53.32 0.64 Allowed Glycine 0 C--N 1.341 0.851 0 N-CA-C 111.856 -0.498 . . . . 74.1 111.856 173.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -80.14 139.01 37.0 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.275 0.63 . . . . 62.24 110.879 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -114.89 174.09 6.15 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 108.461 -0.94 . . . . 73.53 108.461 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.68 114.88 7.3 Favored Glycine 0 C--N 1.349 1.278 0 N-CA-C 111.905 -0.478 . . . . 40.21 111.905 176.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 112.66 -16.47 23.75 Favored Glycine 0 N--CA 1.468 0.789 0 O-C-N 123.729 0.311 . . . . 74.32 112.624 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -80.25 -170.5 2.55 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.817 -0.438 . . . . 54.23 109.817 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -147.39 160.99 41.92 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.432 0.634 . . . . 70.5 110.632 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.49 HG11 ' HA ' ' A' ' 138' ' ' PRO . 15.9 m -139.91 143.81 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.884 1.274 . . . . 72.24 108.109 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.45 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -77.8 115.98 17.97 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.905 0.383 . . . . 45.45 110.792 -173.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 14.8 mt -95.05 85.71 4.41 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 108.25 -1.019 . . . . 74.53 108.25 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.43 ' HB2' HD23 ' A' ' 153' ' ' LEU . 2.5 m-20 -75.31 102.82 5.21 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 107.6 -1.259 . . . . 65.21 107.6 167.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.576 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 26.6 m-85 -65.61 -16.37 63.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.28 0.632 . . . . 71.32 111.995 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -71.53 -17.85 62.3 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 122.14 0.176 . . . . 45.42 111.334 175.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.468 HD11 HG12 ' A' ' 19' ' ' ILE . 2.9 mm? -93.05 13.46 20.73 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.273 0.629 . . . . 64.1 111.683 172.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.83 120.46 6.86 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.826 -0.435 . . . . 30.32 109.826 172.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -97.54 135.82 38.83 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.807 0.843 . . . . 55.34 110.028 -171.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -117.08 127.53 26.64 Favored Pre-proline 0 C--O 1.24 0.587 0 CA-C-N 114.976 -1.011 . . . . 72.43 108.976 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -48.47 164.03 0.23 Allowed 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 123.284 2.656 . . . . 73.44 113.892 166.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -75.08 0.68 15.29 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.786 -1.097 . . . . 70.41 113.037 -171.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 29.8 p -65.06 -22.67 67.0 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.444 0.698 . . . . 74.43 111.172 172.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.456 ' HA ' ' OH ' ' A' ' 128' ' ' TYR . . . -82.21 -17.06 47.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.036 0.535 . . . . 53.43 110.676 174.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . 0.451 ' CD2' HD11 ' A' ' 30' ' ' LEU . 8.0 m-85 -101.44 -13.35 17.99 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.557 1.143 . . . . 63.11 110.375 -173.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 125.11 -26.98 5.46 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 119.799 -0.445 . . . . 52.35 113.481 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -90.47 142.14 16.19 Favored Glycine 0 N--CA 1.479 1.548 0 CA-C-N 117.607 0.703 . . . . 75.25 112.928 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 23.8 p -91.49 86.22 5.98 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.02 0.91 . . . . 73.53 109.999 -176.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 79' ' ' ARG . 96.7 m-85 -113.64 160.43 18.59 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.57 0.748 . . . . 75.42 110.825 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 20.5 p -71.6 140.72 49.9 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.926 0.89 . . . . 53.42 112.37 -171.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 131' ' ' GLY . 47.3 t -133.59 129.06 36.45 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.973 -0.751 . . . . 61.03 108.973 173.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.81 113.4 10.91 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 124.27 0.981 . . . . 65.0 109.433 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 130' ' ' HIS . 4.2 mm? -58.87 120.71 48.75 Favored Pre-proline 0 CA--C 1.545 0.782 0 O-C-N 124.125 0.891 . . . . 74.14 109.018 171.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.74 153.13 73.69 Favored 'Trans proline' 0 C--N 1.365 1.445 0 C-N-CA 122.463 2.108 . . . . 75.1 112.504 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.61 149.63 90.47 Favored 'Trans proline' 0 C--N 1.372 1.768 0 C-N-CA 121.93 1.754 . . . . 72.3 110.433 164.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -53.73 -27.25 27.27 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.9 1.074 . . . . 64.1 113.9 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -79.26 -17.65 54.31 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 122.92 0.488 . . . . 74.12 111.159 -178.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.59 4.73 30.87 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.111 0.565 . . . . 52.42 110.899 173.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -88.81 116.55 27.17 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 108.156 -1.053 . . . . 55.35 108.156 171.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 119' ' ' ASP . 58.7 t -92.34 114.0 60.98 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.39 1.076 . . . . 63.13 109.05 177.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.461 ' HD2' ' CE1' ' A' ' 100' ' ' HIS . 35.6 Cg_exo -67.23 58.42 0.64 Allowed 'Trans proline' 0 CA--C 1.563 1.926 0 C-N-CA 122.826 2.35 . . . . 62.24 113.422 167.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -148.83 146.16 27.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.679 1.191 . . . . 64.41 107.881 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -90.58 108.28 19.7 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.04 0.536 . . . . 52.21 109.939 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 151' ' ' PHE . 3.3 mp -96.8 97.05 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.16 -1.052 . . . . 73.14 108.16 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 18.4 p -95.38 65.6 2.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.149 0.976 . . . . 42.34 109.728 174.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -112.42 -163.98 0.89 Allowed 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 114.401 -1.272 . . . . 73.02 108.334 177.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.631 ' HA2' ' HB2' ' A' ' 52' ' ' PHE . . . -72.58 98.65 0.86 Allowed Glycine 0 C--N 1.354 1.575 0 C-N-CA 119.626 -1.274 . . . . 52.32 110.9 174.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . 0.493 ' HB3' HG21 ' A' ' 127' ' ' THR . 0.1 OUTLIER -133.83 139.04 46.0 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 106.087 -1.82 . . . . 64.34 106.087 168.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -77.31 175.74 9.45 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.972 0.891 . . . . 65.42 112.058 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.45 ' HA ' ' HE1' ' A' ' 128' ' ' TYR . 10.9 p -170.2 165.87 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 113.533 -1.667 . . . . 73.21 108.047 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -153.94 134.1 13.28 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.135 -0.691 . . . . 75.04 109.135 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.71 83.3 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.963 0.905 . . . . 71.22 113.287 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -73.37 -43.94 59.62 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.938 0.495 . . . . 75.41 111.301 -174.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.6 -59.32 2.8 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.783 0.433 . . . . 74.32 110.384 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 C--O 1.247 0.947 0 N-CA-C 109.162 -0.681 . . . . 71.34 109.162 -174.77 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mtt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 109.891 -0.411 . . . . 72.51 109.891 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 m -132.95 80.39 60.61 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 123.295 0.638 . . . . 72.14 110.634 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -86.69 151.65 8.76 Favored 'Trans proline' 0 C--N 1.37 1.687 0 C-N-CA 122.701 2.267 . . . . 74.14 110.35 168.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.4 tt -64.27 127.31 91.92 Favored Pre-proline 0 CA--C 1.564 1.489 0 N-CA-C 108.55 -0.907 . . . . 72.44 108.55 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -65.56 126.88 16.91 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 122.587 2.191 . . . . 73.05 110.872 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.5 mt -154.82 -56.17 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 125.223 1.409 . . . . 70.4 108.975 -173.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -89.45 37.38 0.38 Allowed 'Trans proline' 0 C--N 1.397 3.09 0 C-N-CA 122.12 1.88 . . . . 62.23 111.349 176.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -61.7 -17.9 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.287 1.035 . . . . 72.12 111.056 170.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.91 105.42 17.56 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 105.664 -1.976 . . . . 70.34 105.664 158.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.02 -75.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.383 0.673 . . . . 64.45 111.215 -165.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -139.78 161.27 37.96 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 125.118 1.367 . . . . 75.33 107.986 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -51.38 -34.77 35.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.095 0.958 . . . . 70.2 112.57 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.32 -59.56 5.09 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.514 0.726 . . . . 71.41 110.576 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.42 94.25 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.11 0.964 . . . . 64.41 110.811 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.485 ' O ' HG13 ' A' ' 19' ' ' ILE . 50.1 t90 -61.87 -63.71 1.17 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.604 1.561 . . . . 74.42 110.022 -177.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 ttm-85 -58.48 -41.0 84.29 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.326 1.05 . . . . 73.11 110.761 -177.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.55 97.24 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 123.898 0.749 . . . . 60.43 111.758 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -62.11 -46.73 87.76 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.705 0.802 . . . . 74.35 111.184 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.536 HD13 HD22 ' A' ' 152' ' ' ASN . 9.7 mt -72.67 -39.0 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 123.506 0.504 . . . . 74.31 111.045 -174.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.83 95.87 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.885 0.741 . . . . 70.03 109.842 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.45 73.23 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 124.117 0.886 . . . . 72.53 111.233 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -70.92 -50.17 37.76 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.238 1.015 . . . . 63.04 111.196 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -71.37 -34.5 70.5 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.055 -0.521 . . . . 72.55 110.436 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.7 -34.27 71.77 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 122.146 0.178 . . . . 60.51 110.757 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -57.25 -50.62 72.31 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.802 0.841 . . . . 62.42 110.894 172.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -64.93 -38.67 91.74 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-O 118.923 -0.56 . . . . 71.2 110.799 177.144 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.461 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -52.79 -52.14 57.91 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.187 0.595 . . . . 75.01 111.393 176.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -77.26 -27.45 53.21 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.466 0.479 . . . . 74.33 111.543 -177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -57.58 -64.88 0.75 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.221 0.608 . . . . 71.5 111.763 -175.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.531 HD23 HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -77.64 -8.09 57.38 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 112.382 0.512 . . . . 73.54 112.382 -176.484 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.71 -39.35 24.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.89 0.476 . . . . 53.13 110.653 173.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.1 p -107.64 -57.09 2.14 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.455 0.539 . . . . 61.43 112.455 -175.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -58.53 144.97 40.82 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.772 0.829 . . . . 64.21 113.074 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -78.6 -22.14 47.49 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 114.165 -1.38 . . . . 73.33 111.005 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -60.01 -30.35 69.09 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.65 1.18 . . . . 54.14 112.621 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -144.39 100.74 4.79 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 106.682 -1.599 . . . . 70.23 106.682 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' O ' ' HA3' ' A' ' 163' ' ' GLY . 74.0 Cg_endo -82.29 145.5 13.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 121.732 1.621 . . . . 75.21 112.297 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.531 HD11 HD23 ' A' ' 30' ' ' LEU . 32.8 mt -90.32 136.22 28.76 Favored Pre-proline 0 N--CA 1.48 1.029 0 N-CA-C 106.675 -1.602 . . . . 73.53 106.675 159.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.04 143.98 95.47 Favored 'Trans proline' 0 C--N 1.387 2.601 0 C-N-CA 122.733 2.289 . . . . 53.14 111.546 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -54.21 -36.37 85.72 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.175 2.583 . . . . 73.33 113.303 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.9 -50.14 63.38 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 123.764 0.665 . . . . 64.22 111.566 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.12 -23.79 62.16 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.51 0.724 . . . . 74.03 111.902 -177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -63.8 -26.77 68.78 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.271 0.628 . . . . 70.34 110.969 175.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.41 -37.81 95.26 Favored Glycine 0 C--N 1.354 1.535 0 N-CA-C 112.059 -0.416 . . . . 44.33 112.059 173.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.99 -10.85 59.66 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.366 0.876 . . . . 61.54 113.366 174.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -77.53 106.58 9.4 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 118.614 0.643 . . . . 74.12 110.062 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -109.97 -37.13 5.69 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 106.909 -1.515 . . . . 73.32 106.909 163.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.75 146.62 7.99 Favored Glycine 0 C--O 1.246 0.882 0 N-CA-C 108.795 -1.722 . . . . 71.53 108.795 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.22 118.39 5.43 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 123.041 0.536 . . . . 73.33 109.896 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -73.75 127.05 31.76 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.313 -0.995 . . . . 64.22 108.313 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.81 171.95 15.94 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 123.815 0.697 . . . . 71.52 112.6 -170.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -77.79 156.67 30.37 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 114.23 -1.35 . . . . 51.05 109.842 173.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -97.05 177.55 5.56 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.375 -0.829 . . . . 65.44 111.089 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.9 mm -85.33 112.86 22.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.432 -0.804 . . . . 71.35 110.476 -165.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -122.6 127.48 49.47 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.186 0.594 . . . . 64.33 111.237 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.55 -15.22 58.08 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.586 1.154 . . . . 75.21 113.742 -171.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t -68.3 -20.49 64.76 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 118.231 0.469 . . . . 72.21 111.076 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -73.06 8.42 1.61 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.082 0.953 . . . . 73.52 113.453 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HD3' ' HB3' ' A' ' 150' ' ' ASP . 11.8 tpp180 -78.74 94.06 5.05 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.462 0.705 . . . . 72.34 109.95 -176.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 m -102.03 143.24 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 108.917 -0.771 . . . . 71.41 108.917 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.47 130.48 40.83 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.873 -0.788 . . . . 71.41 108.873 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.69 135.62 55.07 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.89 0.476 . . . . 72.54 110.654 -174.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -74.91 120.4 20.39 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.55 0.74 . . . . 72.12 109.59 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -88.2 125.02 34.41 Favored 'General case' 0 C--O 1.247 0.927 0 C-N-CA 124.021 0.928 . . . . 70.11 109.864 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -131.56 104.9 14.45 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.861 0.864 . . . . 74.14 109.45 172.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -69.53 148.93 67.69 Favored 'Trans proline' 0 C--N 1.371 1.716 0 C-N-CA 121.946 1.764 . . . . 72.12 110.042 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.73 102.38 8.06 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.884 -0.784 . . . . 43.11 108.884 -176.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -59.23 -24.89 63.55 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.898 0.879 . . . . 73.44 110.507 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -123.67 84.03 53.7 Favored Pre-proline 0 CA--C 1.558 1.257 0 C-N-CA 124.901 1.28 . . . . 74.14 108.44 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -81.88 132.32 7.44 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.173 1.915 . . . . 71.04 111.761 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 86' ' ' THR . 12.7 pt-20 -140.4 157.37 45.64 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.056 0.542 . . . . 71.52 110.589 -177.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.85 113.02 21.06 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 123.848 0.717 . . . . 61.22 109.283 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 17.1 m -105.91 156.26 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.377 1.071 . . . . 62.12 108.536 178.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.63 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 43.6 mt-10 -109.87 107.79 17.86 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 123.518 0.727 . . . . 53.13 109.462 -171.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 170' ' ' PRO . 1.2 mm? -101.76 134.44 44.92 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.47 -1.307 . . . . 74.51 107.47 177.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.25 149.55 49.35 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.013 -0.736 . . . . 74.53 109.013 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.3 p -119.15 168.41 10.89 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.797 0.439 . . . . 74.3 110.568 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.3 p -89.98 -23.94 21.38 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.057 -0.974 . . . . 51.53 109.87 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -32.92 72.29 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.022 0.929 . . . . 73.35 111.667 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.91 -123.86 1.28 Allowed Glycine 0 CA--C 1.523 0.569 0 CA-C-O 118.09 -1.395 . . . . 40.11 111.19 -174.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -64.6 147.84 90.24 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.95 2.434 . . . . 53.1 111.974 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -58.13 145.45 92.3 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 123.136 2.557 . . . . 53.41 113.217 -174.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.92 129.72 44.33 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 123.831 0.852 . . . . 62.25 109.658 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.63 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 45.9 mt-10 -93.03 121.22 34.14 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.024 0.53 . . . . 74.51 109.954 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.43 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 60.6 m-85 -123.69 141.79 51.69 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.249 -1.019 . . . . 74.14 108.249 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 71' ' ' GLU . 37.1 m -84.64 144.08 28.82 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.869 -0.419 . . . . 62.43 109.869 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.7 mtm105 -75.19 108.74 8.15 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.011 -0.737 . . . . 71.24 109.011 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -87.49 -48.06 8.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.185 0.594 . . . . 74.43 111.51 178.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -152.54 173.68 14.86 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.303 0.641 . . . . 74.12 110.385 -177.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.1 t -136.05 125.07 38.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.067 0 C-N-CA 124.761 1.224 . . . . 72.22 107.742 173.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.15 123.6 48.27 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.814 0.846 . . . . 74.52 110.79 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.87 121.12 5.74 Favored Glycine 0 N--CA 1.476 1.358 0 CA-C-O 119.596 -0.558 . . . . 72.13 112.263 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -152.87 -174.31 4.88 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 117.761 0.781 . . . . 75.25 110.479 -173.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.525 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 7.9 p-10 -138.38 157.68 45.75 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.754 0.822 . . . . 64.31 110.217 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.4 tp -160.27 140.31 11.42 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.443 1.097 . . . . 60.34 108.804 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.83 -107.23 1.92 Allowed Glycine 0 C--N 1.351 1.4 0 N-CA-C 112.293 -0.323 . . . . 75.01 112.293 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.76 6.82 9.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.31 1.044 . . . . 53.15 110.152 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.3 m -132.87 131.33 40.84 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.561 0.578 . . . . 75.3 112.561 -171.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 6.4 p80 -88.2 137.54 32.24 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.673 -0.862 . . . . 73.42 108.673 170.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -141.54 151.01 42.86 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.463 0.649 . . . . 65.44 110.271 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.1 m -125.63 119.23 27.49 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.23 -1.35 . . . . 64.23 107.602 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 84.3 mt -107.72 150.83 26.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.486 0.714 . . . . 64.14 110.096 -175.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.6 m -93.23 126.69 38.47 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.929 -0.767 . . . . 73.42 108.929 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -95.83 125.13 40.19 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.32 1.048 . . . . 61.5 108.519 174.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 29.3 m-85 -98.96 155.51 17.38 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.917 0.389 . . . . 64.11 110.782 -177.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.51 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 78.8 ttt180 -92.87 115.68 28.34 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.332 -0.988 . . . . 72.25 108.332 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.17 108.72 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.6 -1.259 . . . . 75.52 107.6 169.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.91 138.93 57.7 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.955 -1.02 . . . . 71.25 110.763 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 87.97 -25.41 8.81 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 116.33 -0.395 . . . . 43.21 112.847 -174.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -106.16 127.3 53.11 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.619 1.168 . . . . 75.3 109.853 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.3 t -73.76 -18.79 60.93 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.179 0.992 . . . . 50.23 111.901 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 48.7 m -84.03 140.04 32.12 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.016 0.526 . . . . 72.43 109.692 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.411 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 31.5 mt -82.06 145.63 30.09 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.356 1.063 . . . . 75.34 109.037 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.52 102.44 10.79 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.721 -0.844 . . . . 72.22 108.721 -171.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.7 t -105.14 104.18 45.79 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 123.575 0.75 . . . . 70.34 110.16 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -91.16 128.07 1.2 Allowed 'Trans proline' 0 C--N 1.368 1.596 0 C-N-CA 123.127 2.551 . . . . 75.32 112.272 174.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.647 ' HA ' ' HB2' ' A' ' 174' ' ' ASN . 21.4 p90 -146.7 172.71 13.2 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.655 0.782 . . . . 74.2 110.224 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 39.7 p -133.56 168.64 18.29 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 108.555 -0.906 . . . . 72.42 108.555 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -162.81 -165.06 1.07 Allowed 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.23 0.331 . . . . 74.2 111.777 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.25 -31.55 43.55 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.424 0.528 . . . . 65.03 112.424 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.3 m -70.72 -34.48 71.94 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.026 0.531 . . . . 74.03 110.627 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.712 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 20.9 p -68.58 -40.39 80.56 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 115.72 -0.673 . . . . 74.34 110.433 170.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.73 -32.3 70.42 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.971 0.908 . . . . 72.13 111.907 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -63.31 -21.35 66.2 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.8 0.84 . . . . 74.23 112.981 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 70.36 8.56 62.7 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 123.454 0.471 . . . . 74.52 113.921 -172.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.561 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 5.4 mmp_? -92.59 -4.86 52.73 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.989 0.515 . . . . 54.14 110.4 175.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 184' ' ' GLU . 28.7 p -129.33 155.93 44.84 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 106.27 -1.752 . . . . 64.45 106.27 156.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -63.4 115.07 4.28 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.009 0.433 . . . . 74.31 110.941 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.712 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 1.7 pp20? -70.24 -12.75 61.81 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.276 1.03 . . . . 63.22 113.283 -174.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 25.0 m80 -66.65 -20.65 66.03 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 123.355 0.409 . . . . 72.43 111.068 -172.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 157' ' ' PRO . . . 163.56 146.07 4.59 Favored Glycine 0 C--N 1.338 0.685 0 CA-C-N 115.799 -0.637 . . . . 62.21 111.667 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.512 ' HD2' ' HB1' ' A' ' 154' ' ' ALA . 10.1 tpp180 -112.48 141.87 45.71 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.179 -1.415 . . . . 63.34 107.179 168.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -111.1 170.54 8.04 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.81 0.732 . . . . 73.52 110.516 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.2 tt -149.84 122.77 8.76 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 106.431 -1.692 . . . . 65.23 106.431 167.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -96.78 103.66 15.6 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 107.906 -1.146 . . . . 60.52 107.906 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.0 t -99.77 124.57 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 115.057 -0.974 . . . . 73.45 110.38 -171.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -86.0 118.84 71.19 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 108.109 -1.071 . . . . 62.31 108.109 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.1 -32.04 75.31 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.779 2.319 . . . . 73.22 112.974 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 47.25 43.4 14.78 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.426 1.09 . . . . 54.34 113.27 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 66.26 33.61 85.58 Favored Glycine 0 C--N 1.347 1.142 0 N-CA-C 114.78 0.672 . . . . 73.11 114.78 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -83.3 158.11 22.35 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.954 0.502 . . . . 71.23 110.686 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -143.63 -175.45 4.57 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 108.272 -1.01 . . . . 65.01 108.272 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -66.34 117.67 9.9 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 117.932 0.333 . . . . 53.42 112.44 -173.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.31 3.57 58.68 Favored Glycine 0 N--CA 1.467 0.732 0 O-C-N 123.742 0.319 . . . . 44.4 112.73 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -87.26 -178.37 6.19 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.966 -1.124 . . . . 74.2 107.966 164.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -137.14 163.5 30.69 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.796 0.331 . . . . 64.14 110.477 174.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 21.6 m -134.22 153.87 36.6 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 C-N-CA 124.171 0.988 . . . . 61.54 108.994 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -82.09 113.87 20.24 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 108.987 -0.746 . . . . 53.41 108.987 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.9 mt -112.99 86.4 2.37 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 108.365 -0.976 . . . . 75.52 108.365 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.434 ' HB3' ' HD3' ' A' ' 59' ' ' ARG . 8.3 p-10 -99.72 123.94 44.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.311 -0.996 . . . . 44.22 108.311 171.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.458 ' HB3' HG23 ' A' ' 180' ' ' ILE . 58.9 m-85 -69.6 -12.33 61.56 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 114.465 -1.243 . . . . 71.24 113.484 -168.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.536 HD22 HD13 ' A' ' 19' ' ' ILE . 3.2 p-10 -68.33 -8.42 39.77 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 111.858 0.318 . . . . 74.23 111.858 170.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.58 -0.41 57.32 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.611 0.764 . . . . 64.54 112.284 167.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 132' ' ' ARG . . . -52.28 127.68 22.85 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.535 0.522 . . . . 61.31 110.672 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -96.54 155.16 16.88 Favored 'General case' 0 C--O 1.255 1.343 0 CA-C-O 122.063 0.935 . . . . 74.22 109.698 -169.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.548 HD21 ' HB3' ' A' ' 160' ' ' ALA . 0.2 OUTLIER -96.85 121.95 58.04 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 113.356 -1.747 . . . . 73.12 108.887 -168.308 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . 0.449 ' HG3' ' O ' ' A' ' 131' ' ' GLY . 65.9 Cg_endo -68.24 144.99 64.67 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.652 2.235 . . . . 71.21 110.654 173.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.474 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 27.0 m-85 -73.77 -11.51 60.41 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.677 0.621 . . . . 63.31 112.677 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 165' ' ' PHE . 30.4 p -60.82 -28.46 68.81 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.303 0.641 . . . . 40.24 111.31 169.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.548 ' HB3' HD21 ' A' ' 156' ' ' ASN . . . -81.33 5.16 18.19 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.718 1.007 . . . . 73.3 113.718 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 52.6 m-85 -114.81 -8.49 12.59 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.081 0.552 . . . . 63.3 110.14 178.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 91.49 -51.88 3.04 Favored Glycine 0 C--N 1.352 1.438 0 CA-C-O 119.65 -0.528 . . . . 55.43 113.969 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 37' ' ' PRO . . . -64.53 -97.73 0.02 OUTLIER Glycine 0 C--N 1.36 1.87 0 CA-C-O 119.202 -0.777 . . . . 62.14 114.305 -170.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.6 t -64.32 85.99 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.269 1.034 . . . . 71.15 109.469 166.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 159' ' ' CYS . 26.8 p90 -84.12 76.53 10.07 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.749 0.785 . . . . 75.24 110.71 -171.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.8 p -119.27 117.24 28.06 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.283 0.633 . . . . 73.33 112.016 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 130' ' ' HIS . 28.1 p -147.4 147.24 30.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.198 0.999 . . . . 65.41 108.661 164.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -109.27 113.03 25.52 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.541 0.736 . . . . 54.15 109.83 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.2 mp -81.66 117.98 70.39 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 124.995 1.318 . . . . 72.12 109.861 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.1 Cg_endo -84.77 173.63 8.14 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 123.65 2.9 . . . . 63.45 112.316 176.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.15 156.7 28.46 Favored 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 122.465 2.11 . . . . 71.14 112.517 169.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -57.08 -12.98 2.44 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 115.743 1.757 . . . . 73.31 115.743 -168.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.71 -6.37 44.04 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 122.93 0.492 . . . . 71.34 111.434 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.647 ' HB2' ' HA ' ' A' ' 117' ' ' PHE . 23.8 p-10 -78.06 -10.14 59.47 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.517 0.727 . . . . 73.5 111.411 177.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -89.02 102.06 14.71 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 123.048 0.539 . . . . 73.14 109.962 -171.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 53.7 t -79.95 118.55 73.0 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 107.804 -1.184 . . . . 63.34 107.804 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -75.88 62.11 6.48 Favored 'Trans proline' 0 C--N 1.371 1.712 0 C-N-CA 122.617 2.212 . . . . 63.34 112.02 175.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -151.42 155.99 39.74 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.723 1.209 . . . . 54.54 108.896 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -84.31 108.71 17.31 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.343 0.657 . . . . 72.32 110.016 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . 0.458 HG23 ' HB3' ' A' ' 151' ' ' PHE . 2.0 mp -97.25 89.31 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 104.859 -2.274 . . . . 44.45 104.859 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.52 65.85 7.84 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.237 -0.892 . . . . 71.45 110.019 -173.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -160.51 118.1 2.49 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.271 -1.332 . . . . 73.3 107.45 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 172.16 -158.01 28.25 Favored Glycine 0 N--CA 1.461 0.316 0 N-CA-C 108.604 -1.798 . . . . 54.21 108.604 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . 0.6 ' O ' HG22 ' A' ' 127' ' ' THR . 3.3 mp0 -68.11 157.99 34.05 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.152 -1.055 . . . . 63.11 108.152 163.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -114.44 125.28 53.65 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 105.915 -1.883 . . . . 74.1 105.915 161.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 9.6 t -128.14 149.35 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 109.572 -0.529 . . . . 72.4 109.572 -160.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -89.13 153.0 21.31 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.874 0.869 . . . . 63.05 111.783 -174.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -58.29 -24.15 58.62 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.682 1.239 . . . . 41.14 112.448 161.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -58.56 -42.02 87.0 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.859 0.864 . . . . 52.33 111.86 174.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -90.02 -57.65 2.78 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.223 -0.658 . . . . 75.35 109.223 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . 0.476 ' HB2' HH21 ' A' ' 126' ' ' ARG . 17.8 mm-40 . . . . . 0 CA--C 1.554 1.11 0 C-N-CA 123.929 0.892 . . . . 75.4 110.44 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 109.979 -0.378 . . . . 52.44 109.979 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 66.9 m -148.47 -50.14 0.02 OUTLIER Pre-proline 0 CA--C 1.567 1.601 0 C-N-CA 123.391 0.676 . . . . 72.24 111.048 176.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.422 ' HD3' ' HB2' ' A' ' 2' ' ' SER . 44.4 Cg_endo -95.73 -177.48 0.41 Allowed 'Trans proline' 0 C--N 1.393 2.892 0 C-N-CA 122.627 2.218 . . . . 63.45 111.393 166.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.1 tt -82.15 140.78 46.07 Favored Pre-proline 0 CA--C 1.561 1.369 0 N-CA-C 107.204 -1.406 . . . . 62.42 107.204 167.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -61.11 124.77 15.5 Favored 'Trans proline' 0 C--N 1.378 2.097 0 CA-C-N 120.772 1.311 . . . . 72.33 112.003 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mt 172.78 -55.15 0.0 OUTLIER Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 125.607 1.563 . . . . 63.34 108.242 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -83.5 24.5 0.75 Allowed 'Trans proline' 0 C--N 1.406 3.568 0 C-N-CA 122.628 2.219 . . . . 71.54 112.238 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.3 m -63.89 -12.01 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.971 1.308 . . . . 74.15 112.181 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 t -88.17 33.66 0.74 Allowed 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 125.668 1.587 . . . . 73.13 110.479 170.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 26.4 -104.79 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 126.388 1.875 . . . . 75.22 114.066 -169.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -136.6 157.47 46.7 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 105.299 -2.111 . . . . 65.31 105.299 168.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 21.3 t70 -47.03 -42.15 17.81 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 113.135 0.791 . . . . 75.44 113.135 -173.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.79 -59.14 5.9 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.59 0.756 . . . . 74.13 111.588 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.31 97.33 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.028 -0.987 . . . . 41.03 111.512 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.487 ' O ' HG13 ' A' ' 19' ' ' ILE . 49.8 t90 -61.37 -44.49 97.07 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.946 1.298 . . . . 74.42 110.906 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 11.7 ttt85 -65.99 -44.32 85.19 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.516 1.126 . . . . 74.22 109.287 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.02 85.9 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 115.072 -0.967 . . . . 61.53 111.586 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -62.57 -47.66 82.87 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 123.005 0.522 . . . . 75.51 110.675 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.544 HG12 HD11 ' A' ' 153' ' ' LEU . 54.1 mt -60.95 -48.25 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.345 0.258 . . . . 54.13 110.407 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.47 -44.14 80.28 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 124.126 0.891 . . . . 73.42 110.888 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.9 -49.98 72.65 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.308 -0.86 . . . . 63.25 111.573 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -75.7 -30.34 59.28 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.831 0.852 . . . . 71.32 112.158 -175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -75.78 -42.79 49.2 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 108.627 -0.879 . . . . 62.22 108.627 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.01 -30.22 67.47 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.068 -0.969 . . . . 32.05 110.757 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.489 ' HA ' ' HG2' ' A' ' 28' ' ' GLU . 27.4 t70 -65.48 -41.32 93.43 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 123.381 0.426 . . . . 73.04 110.272 171.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -64.98 -37.64 88.33 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.717 0.407 . . . . 72.24 111.184 175.333 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.8 -42.23 86.3 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 122.831 0.452 . . . . 73.21 111.232 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HG2' ' HA ' ' A' ' 25' ' ' ASP . 10.0 pt-20 -80.73 -24.4 38.78 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 119.113 -0.47 . . . . 73.12 112.06 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.483 ' HB3' HD13 ' A' ' 30' ' ' LEU . 56.0 t80 -49.85 -61.97 1.83 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.724 1.21 . . . . 65.12 111.344 -172.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.751 ' HB2' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.57 -4.48 31.0 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-N 115.093 -0.958 . . . . 55.2 112.244 -173.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.9 -43.16 9.11 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.576 0.75 . . . . 74.24 110.416 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 28' ' ' GLU . 14.7 t -121.4 33.19 5.61 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.821 0.82 . . . . 74.15 111.466 -172.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -142.02 115.22 8.84 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.975 -1.011 . . . . 71.03 109.982 174.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.01 -33.68 72.33 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.144 1.377 . . . . 75.45 112.375 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -72.81 -8.46 55.6 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.326 0.65 . . . . 75.22 112.449 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -156.49 77.25 4.31 Favored Pre-proline 0 N--CA 1.477 0.913 0 N-CA-C 107.075 -1.454 . . . . 63.3 107.075 173.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -92.89 151.43 2.7 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 122.93 2.42 . . . . 60.51 112.977 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.751 HG13 ' HB2' ' A' ' 30' ' ' LEU . 15.7 mt -76.33 127.27 85.13 Favored Pre-proline 0 CA--C 1.554 1.117 0 N-CA-C 107.017 -1.475 . . . . 72.25 107.017 164.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -46.01 140.77 10.0 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 124.282 3.321 . . . . 74.02 113.341 -175.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -47.84 -39.26 31.5 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 124.094 3.196 . . . . 75.45 114.834 -165.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.27 -47.57 79.06 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 121.287 0.565 . . . . 65.11 111.093 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.4 -25.35 59.42 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.032 0.933 . . . . 70.44 111.168 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -62.76 -35.41 79.73 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.528 1.131 . . . . 54.41 110.532 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.98 -39.19 63.84 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.129 -0.788 . . . . 51.32 111.129 172.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.67 10.32 11.54 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 124.246 1.018 . . . . 63.23 113.129 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -69.63 102.15 1.8 Allowed 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.253 0.549 . . . . 70.34 109.788 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -91.96 -25.64 18.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.187 0.995 . . . . 73.44 109.571 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.78 158.12 9.63 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 114.996 -1.002 . . . . 73.34 110.604 -176.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.97 148.56 31.14 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.652 -0.499 . . . . 75.53 109.652 176.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.561 ' HD3' ' H ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -68.96 136.1 52.0 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.666 -0.697 . . . . 73.44 109.176 174.374 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -107.9 118.6 37.18 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.367 0.667 . . . . 60.35 110.134 -172.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -83.78 134.1 34.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 107.999 -1.112 . . . . 71.1 107.999 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -74.04 155.04 38.96 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.513 0.325 . . . . 74.24 110.204 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.506 HD12 HG21 ' A' ' 19' ' ' ILE . 23.6 mm -75.45 132.66 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.467 0.707 . . . . 74.51 110.993 -169.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -136.64 110.46 8.16 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 122.97 0.508 . . . . 74.4 111.562 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.75 -5.21 56.82 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.275 1.03 . . . . 64.41 111.996 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 m -75.97 -28.8 58.03 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.027 0.441 . . . . 71.22 110.287 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.53 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 18.0 m-85 -75.77 12.05 1.18 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.041 0.936 . . . . 71.21 113.041 173.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -85.76 98.62 10.83 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 108.724 -0.843 . . . . 73.42 108.724 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.5 m -100.55 137.19 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 107.83 -1.174 . . . . 71.21 107.83 169.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.82 113.58 20.55 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 107.209 -1.404 . . . . 54.34 107.209 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.41 136.08 42.88 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.384 -0.599 . . . . 71.21 109.384 -173.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -73.3 110.32 7.5 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 107.966 -1.124 . . . . 73.11 107.966 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -79.5 119.34 22.36 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 115.074 -0.966 . . . . 61.42 110.284 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -113.47 144.05 30.56 Favored Pre-proline 0 CA--C 1.549 0.91 0 N-CA-C 107.196 -1.409 . . . . 72.24 107.196 164.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -94.54 167.06 1.81 Allowed 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 122.752 2.301 . . . . 52.43 112.076 169.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.5 125.57 28.23 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 110.067 -0.346 . . . . 72.24 110.067 167.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -57.3 -38.16 73.57 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.73 0.812 . . . . 75.43 111.348 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -150.51 96.92 3.35 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 107.165 -1.42 . . . . 54.33 107.165 172.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -47.75 130.28 18.71 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 123.603 2.869 . . . . 73.5 113.451 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.65 157.1 45.02 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.645 0.778 . . . . 75.21 111.18 -174.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.71 126.46 32.91 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.13 0.972 . . . . 75.04 110.937 -175.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 21.3 m -113.16 155.21 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.961 0.905 . . . . 74.5 108.858 172.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -101.78 111.32 23.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.276 0.63 . . . . 72.01 109.872 -176.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.89 115.99 31.7 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 107.629 -1.249 . . . . 73.12 107.629 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.91 140.71 57.66 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.014 -0.735 . . . . 60.41 109.014 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.1 p -115.29 161.58 18.29 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.48 0.582 . . . . 71.42 110.978 -168.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.1 p -74.09 -25.15 59.65 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.209 -0.905 . . . . 74.11 110.0 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -71.54 -31.77 67.4 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.728 1.211 . . . . 72.32 111.994 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.64 -120.9 1.34 Allowed Glycine 0 C--N 1.347 1.149 0 CA-C-O 118.812 -0.993 . . . . 54.21 111.476 -174.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 34.3 Cg_endo -59.67 145.22 98.71 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 123.341 2.694 . . . . 64.02 112.252 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 81' ' ' PRO . 51.2 Cg_exo -55.86 151.87 38.63 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 123.186 2.591 . . . . 74.13 114.815 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.74 127.09 48.67 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.821 -1.081 . . . . 75.01 108.725 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 8.6 pt-20 -73.85 125.83 29.04 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.598 0.561 . . . . 75.24 110.184 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -128.21 133.23 48.83 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 107.406 -1.331 . . . . 72.05 107.406 169.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.5 ' HB ' ' HB3' ' A' ' 106' ' ' ARG . 51.6 m -78.84 148.51 32.81 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 108.628 -0.878 . . . . 54.05 108.628 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -85.06 113.99 21.88 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.697 -0.853 . . . . 72.21 108.697 172.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.544 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -86.84 -47.35 9.12 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.543 0.687 . . . . 73.41 110.346 176.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . . . -151.82 168.86 23.75 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 114.776 -1.102 . . . . 71.31 110.217 -171.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.6 t -131.73 113.93 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 124.766 1.226 . . . . 70.52 107.914 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.38 122.76 38.43 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.168 0.587 . . . . 73.31 109.936 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.44 134.69 11.32 Favored Glycine 0 C--N 1.337 0.622 0 N-CA-C 110.126 -1.189 . . . . 72.2 110.126 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -152.85 -175.72 5.44 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.116 0.958 . . . . 70.34 110.473 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.68 154.97 46.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.898 0.879 . . . . 74.13 109.531 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.73 125.85 3.77 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 106.118 -1.808 . . . . 63.21 106.118 -175.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.73 -125.21 27.91 Favored Glycine 0 C--N 1.353 1.484 0 N-CA-C 110.791 -0.924 . . . . 70.02 110.791 -169.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -109.24 21.12 17.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.3 0.64 . . . . 64.24 110.402 169.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.2 m -117.42 124.11 48.06 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.865 0.466 . . . . 64.53 111.111 -173.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -92.36 117.04 29.51 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.617 -1.253 . . . . 75.11 107.617 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -135.42 149.97 49.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.622 0.725 . . . . 72.53 110.922 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.5 m -129.61 125.14 35.44 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 114.159 -1.382 . . . . 71.23 110.064 -167.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.0 mt -108.72 138.12 45.56 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.538 -0.912 . . . . 63.22 108.538 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.0 m -88.6 130.21 35.32 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.897 -0.409 . . . . 71.43 109.897 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -96.41 119.41 34.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.604 0.762 . . . . 33.23 109.576 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -95.28 149.88 20.85 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.119 0.568 . . . . 70.15 111.244 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 60.2 ttt180 -92.18 111.83 23.54 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 107.78 -1.193 . . . . 74.25 107.78 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.61 145.01 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.579 0.752 . . . . 63.14 111.068 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -81.94 136.34 35.31 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.513 -1.221 . . . . 74.2 109.417 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.12 -39.85 2.64 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 123.031 0.348 . . . . 51.11 113.194 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -91.6 121.71 33.51 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.006 0.922 . . . . 52.12 110.578 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.1 t -77.44 -11.84 59.89 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.924 1.289 . . . . 62.44 113.021 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.2 m -91.11 150.57 21.34 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.279 0.632 . . . . 73.13 109.888 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.436 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 66.3 mt -80.99 136.51 36.02 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.023 0.929 . . . . 74.25 109.29 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -96.11 98.22 10.17 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 107.853 -1.166 . . . . 73.33 107.853 -176.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.2 t -106.86 96.22 14.18 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 123.564 0.745 . . . . 63.31 108.995 -175.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.599 ' HB2' ' HB3' ' A' ' 170' ' ' PRO . 85.5 Cg_endo -82.27 146.75 14.17 Favored 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 122.225 1.95 . . . . 74.54 111.139 176.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.625 ' HA ' HD22 ' A' ' 174' ' ' ASN . 11.6 p90 -161.46 162.28 30.43 Favored 'General case' 0 C--O 1.252 1.188 0 CA-C-O 121.521 0.677 . . . . 72.05 111.107 -178.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 p -133.46 154.8 50.5 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.771 -1.559 . . . . 71.34 108.213 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.489 ' HB3' ' O ' ' A' ' 178' ' ' ALA . 1.8 m-20 -129.97 -169.98 2.23 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.867 0.867 . . . . 41.44 109.438 -174.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.04 -22.11 58.62 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 122.253 0.221 . . . . 72.44 111.502 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -36.95 76.38 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.418 0.687 . . . . 73.43 110.035 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -34.27 72.36 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.101 1.36 . . . . 65.52 112.894 -173.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.17 -34.32 56.39 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.648 1.179 . . . . 64.44 113.127 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.12 -18.37 65.25 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.438 0.695 . . . . 71.11 111.944 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 87.15 -26.3 7.02 Favored Glycine 0 C--N 1.353 1.497 0 N-CA-C 115.523 0.969 . . . . 73.23 115.523 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -65.45 -36.25 83.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.344 0.658 . . . . 64.44 112.492 -170.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.413 ' HB ' ' HD1' ' A' ' 128' ' ' TYR . 40.2 p -120.44 143.71 48.35 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.374 0.67 . . . . 52.23 111.031 -172.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.44 ' OH ' ' HB2' ' A' ' 119' ' ' ASP 0.266 10.3 p90 34.93 55.84 0.74 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 127.483 2.313 . . . . 72.5 113.991 174.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -43.41 -47.26 6.91 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.51 -2.132 . . . . 71.41 112.159 173.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -103.45 13.83 32.7 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.741 0.816 . . . . 74.21 111.727 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 103.15 171.1 26.1 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 111.257 -0.737 . . . . 64.5 111.257 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.686 HH11 ' HB3' ' A' ' 184' ' ' GLU . 38.8 ptt180 -135.61 146.12 47.58 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.75 -0.833 . . . . 73.21 108.75 175.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -92.8 172.34 8.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.112 0.565 . . . . 72.55 110.169 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.422 HD22 HG22 ' A' ' 136' ' ' VAL . 1.5 tt -144.19 121.2 11.39 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 105.554 -2.017 . . . . 74.52 105.554 168.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -90.13 98.24 11.65 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 107.551 -1.277 . . . . 75.43 107.551 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.422 HG22 HD22 ' A' ' 134' ' ' LEU . 60.9 t -99.5 128.86 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 115.345 -0.843 . . . . 74.31 109.768 -171.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -87.45 116.13 65.11 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 107.212 -1.403 . . . . 64.4 107.212 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.68 -21.81 58.35 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.383 2.055 . . . . 62.23 112.702 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.42 29.35 16.82 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.313 1.045 . . . . 65.22 113.122 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 53.32 47.32 62.28 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-N 116.112 -0.495 . . . . 60.43 114.066 -168.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -81.87 162.1 22.91 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.844 0.458 . . . . 72.22 110.229 173.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -126.41 173.76 9.12 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.888 0.875 . . . . 62.4 108.647 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.86 118.65 13.76 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-O 119.935 -0.37 . . . . 51.05 112.379 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 107.7 -14.28 38.43 Favored Glycine 0 C--N 1.336 0.55 0 CA-C-O 119.573 -0.57 . . . . 61.31 112.696 -177.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.88 -174.67 3.17 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 117.03 0.415 . . . . 72.01 110.114 175.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -140.49 157.72 45.07 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.926 0.49 . . . . 72.33 110.727 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 25.4 m -130.72 152.03 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.555 1.142 . . . . 55.31 109.013 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.03 106.03 11.75 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 109.648 -0.501 . . . . 73.4 109.648 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.73 86.51 4.41 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.305 -0.628 . . . . 72.41 109.305 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.85 106.41 7.41 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 107.533 -1.284 . . . . 72.25 107.533 164.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 30.1 m-85 -65.16 -18.89 65.68 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.488 0.315 . . . . 75.42 111.456 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -57.52 -33.96 68.61 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.886 0.874 . . . . 73.43 110.668 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.544 HD11 HG12 ' A' ' 19' ' ' ILE . 4.2 mm? -85.82 18.34 2.98 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.298 1.039 . . . . 74.23 111.986 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.5 130.05 44.59 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 120.833 0.349 . . . . 72.44 110.391 167.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -97.96 146.34 25.58 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.373 1.069 . . . . 73.12 108.603 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -102.64 136.18 19.37 Favored Pre-proline 0 N--CA 1.471 0.596 0 CA-C-O 119.036 -0.507 . . . . 65.55 110.016 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.2 141.87 96.9 Favored 'Trans proline' 0 C--N 1.379 2.167 0 C-N-CA 122.267 1.978 . . . . 74.52 109.745 172.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -63.37 -11.07 19.76 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 113.35 0.87 . . . . 64.52 113.35 -169.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 163' ' ' GLY . 11.4 p -66.89 -12.35 59.02 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.536 0.734 . . . . 71.22 112.685 174.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -86.38 -0.54 56.17 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.903 0.881 . . . . 73.21 112.09 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -110.33 -11.36 14.54 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.705 0.802 . . . . 73.41 110.891 -171.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 124.89 -22.7 6.36 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-N 116.246 -0.434 . . . . 65.5 112.027 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -80.18 151.76 33.63 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 123.625 0.25 . . . . 62.13 112.553 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 28.8 m -115.02 96.01 5.49 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.877 -0.786 . . . . 74.13 108.877 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.59 -173.67 2.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.16 0.584 . . . . 73.53 110.046 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 40.4 t -73.54 107.24 5.7 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.824 0.85 . . . . 51.33 110.465 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 33.5 m -100.71 114.45 28.21 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.122 -1.066 . . . . 71.33 108.122 177.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.37 102.11 5.01 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.45 0.7 . . . . 54.3 109.698 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 70.8 mt -65.05 116.69 32.25 Favored Pre-proline 0 CA--C 1.545 0.757 0 O-C-N 124.132 0.895 . . . . 74.24 110.024 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.627 ' HB2' HD21 ' A' ' 174' ' ' ASN . 62.3 Cg_endo -70.85 148.14 57.35 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.337 2.025 . . . . 74.31 112.069 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -64.92 163.22 29.09 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 122.255 1.97 . . . . 74.54 111.916 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -65.83 -16.32 63.71 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.055 0.542 . . . . 70.3 111.799 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.3 -19.42 64.58 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.977 1.311 . . . . 74.25 112.99 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.627 HD21 ' HB2' ' A' ' 170' ' ' PRO . 1.2 p-10 -108.7 37.16 2.6 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.469 0.652 . . . . 64.42 111.822 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -102.51 114.41 28.59 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.401 -0.592 . . . . 70.2 109.401 173.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 33.1 m -91.94 138.58 24.68 Favored Pre-proline 0 CA--C 1.557 1.241 0 N-CA-C 109.999 -0.371 . . . . 74.33 109.999 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -86.55 50.39 2.32 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 123.883 3.055 . . . . 74.11 112.348 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 119' ' ' ASP . . . -145.55 146.76 31.54 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.272 -1.01 . . . . 75.3 108.272 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -91.42 122.87 34.4 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.128 -0.693 . . . . 43.11 109.128 173.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.04 108.22 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.018 -1.104 . . . . 71.24 108.018 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 43.4 p -85.01 81.28 8.96 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.715 0.769 . . . . 61.45 110.774 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -120.58 -162.52 0.95 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.665 1.186 . . . . 64.04 109.801 -177.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -68.29 105.6 1.48 Allowed Glycine 0 C--N 1.362 1.987 0 N-CA-C 110.404 -1.079 . . . . 34.23 110.404 172.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . 0.686 ' HB3' HH11 ' A' ' 132' ' ' ARG . 5.4 pt-20 -132.07 157.11 45.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.209 1.004 . . . . 73.21 111.542 -174.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -69.9 131.13 43.96 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 108.255 -1.017 . . . . 73.12 108.255 -174.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 2.7 p -166.67 132.55 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.188 0.595 . . . . 72.14 109.989 172.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . 0.44 ' HB3' HD23 ' A' ' 190' ' ' LEU . 64.4 m-20 -78.33 102.55 7.76 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 108.774 -0.825 . . . . 70.0 108.774 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -48.57 -38.38 20.44 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.017 1.327 . . . . 70.33 114.121 -178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -79.63 -33.42 41.43 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.307 0.643 . . . . 61.34 111.862 -176.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 187' ' ' ASP . 4.1 mm? -81.47 -58.53 2.99 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.044 0.538 . . . . 71.1 110.861 -174.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 . . . . . 0 C--O 1.249 1.041 0 C-N-CA 123.383 0.673 . . . . 75.03 111.49 -176.203 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 tpp . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.663 -0.495 . . . . 75.32 109.663 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 t -161.9 113.39 1.19 Allowed Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.692 0.797 . . . . 75.23 109.093 -178.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -72.32 -176.88 2.39 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 122.613 2.209 . . . . 74.3 110.195 166.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.5 tt -61.06 126.17 85.36 Favored Pre-proline 0 CA--C 1.563 1.479 0 N-CA-C 107.31 -1.367 . . . . 75.32 107.31 172.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.71 127.44 15.45 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 121.55 1.5 . . . . 65.45 111.095 -166.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mt -171.66 -54.51 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.059 0.944 . . . . 74.3 110.053 -169.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -78.87 18.57 0.99 Allowed 'Trans proline' 0 C--N 1.397 3.118 0 C-N-CA 122.173 1.915 . . . . 71.12 112.662 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m -68.12 -26.08 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.663 1.185 . . . . 64.42 110.044 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.411 ' OG1' ' HD2' ' A' ' 59' ' ' ARG . 9.1 t -85.14 86.64 7.36 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 107.428 -1.323 . . . . 64.15 107.428 162.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.5 t0 -28.59 148.97 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 126.914 2.085 . . . . 72.13 115.485 -178.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -47.67 137.05 9.73 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.106 0.962 . . . . 53.03 110.478 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -39.54 -49.32 2.13 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 115.438 1.644 . . . . 73.53 115.438 -162.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.25 -43.55 90.99 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 121.281 0.562 . . . . 75.21 110.602 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.58 -27.95 62.5 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.366 -0.834 . . . . 72.51 111.437 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.562 ' O ' HG13 ' A' ' 19' ' ' ILE . 37.9 t90 -70.76 -37.09 73.37 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.326 -0.62 . . . . 64.24 109.326 173.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -71.34 -27.15 63.17 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.017 0.527 . . . . 75.01 110.35 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.38 84.64 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.91 0.484 . . . . 74.33 111.248 165.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -66.85 -28.4 68.32 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.148 0.579 . . . . 74.12 111.082 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 153' ' ' LEU . 49.3 mt -72.4 -47.69 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.587 0.755 . . . . 71.13 109.906 176.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.41 76.19 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 124.558 1.162 . . . . 74.31 110.085 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.41 80.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.425 0.69 . . . . 61.53 111.221 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -53.27 53.33 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.822 0.849 . . . . 63.2 110.813 179.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -67.55 -38.62 84.42 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.593 0.357 . . . . 73.21 111.157 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.85 89.81 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.664 0.603 . . . . 63.13 110.887 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.7 -56.34 23.08 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.157 0.91 . . . . 54.41 110.63 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -57.21 -40.58 77.76 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.898 0.749 . . . . 75.22 111.374 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.71 -55.14 25.58 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.98 0.912 . . . . 63.4 111.381 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.21 -24.35 61.38 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.972 -0.558 . . . . 75.21 110.963 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.655 ' HE1' ' HB2' ' A' ' 36' ' ' SER . 35.7 t80 -52.83 -65.09 0.62 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.353 1.061 . . . . 73.51 111.87 -173.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.688 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.07 -18.3 65.25 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 111.746 0.276 . . . . 42.35 111.746 -175.337 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.1 -36.57 18.04 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.256 0.622 . . . . 64.51 111.581 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 p -117.54 -59.38 1.94 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.983 0.513 . . . . 73.21 111.529 -173.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -61.29 106.55 0.64 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.839 0.856 . . . . 70.34 109.913 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.32 -11.6 60.31 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.458 1.103 . . . . 63.41 113.133 -164.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -62.08 -13.73 29.38 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 113.958 1.095 . . . . 54.25 113.958 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.655 ' HB2' ' HE1' ' A' ' 29' ' ' PHE . 66.1 m -159.74 81.41 2.45 Favored Pre-proline 0 N--CA 1.475 0.821 0 N-CA-C 107.085 -1.45 . . . . 74.45 107.085 172.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -77.2 148.16 26.91 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.503 2.136 . . . . 74.33 111.954 -176.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.7 tt -73.71 133.99 79.16 Favored Pre-proline 0 CA--C 1.553 1.082 0 N-CA-C 108.205 -1.035 . . . . 52.14 108.205 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -48.42 139.31 22.83 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 123.472 2.782 . . . . 71.43 112.327 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -51.4 -32.61 43.1 Favored 'Trans proline' 0 C--N 1.382 2.305 0 C-N-CA 124.05 3.167 . . . . 65.05 114.332 -170.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.57 -44.42 78.25 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.287 0.565 . . . . 62.22 111.034 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -81.95 -18.73 42.51 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.454 0.702 . . . . 72.13 110.539 -175.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.0 ttp85 -57.9 -46.9 84.22 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.683 0.793 . . . . 64.55 110.676 170.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.93 -41.97 70.54 Favored Glycine 0 C--N 1.344 1.019 0 N-CA-C 111.461 -0.656 . . . . 72.4 111.461 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.76 2.43 14.39 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.656 0.782 . . . . 61.31 112.817 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.8 99.65 0.49 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 121.36 0.6 . . . . 72.24 110.102 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -92.26 -29.19 16.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.49 1.116 . . . . 74.32 109.3 172.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.46 63.48 0.38 Allowed Glycine 0 C--N 1.343 0.948 0 N-CA-C 110.059 -1.217 . . . . 53.03 110.059 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 81.88 0.18 Allowed 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 122.408 1.099 . . . . 73.14 111.02 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -175.24 152.56 1.43 Allowed 'General case' 0 C--O 1.245 0.843 0 CA-C-N 113.761 -1.563 . . . . 75.44 109.453 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.1 t80 168.2 112.14 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.739 1.616 . . . . 70.45 108.41 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -126.3 129.57 49.13 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.917 -0.772 . . . . 73.51 108.917 160.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -71.31 169.7 14.67 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.384 -0.599 . . . . 75.14 109.384 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' A' ' 19' ' ' ILE . 10.6 mm -84.11 123.4 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-O 119.23 -0.414 . . . . 70.23 109.928 -174.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -134.63 118.85 17.64 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 109.552 -0.536 . . . . 71.35 109.552 173.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 59' ' ' ARG . . . -80.16 -15.92 56.0 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.938 0.895 . . . . 43.23 113.256 -176.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.0 t -81.98 -19.39 40.65 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 122.335 -0.228 . . . . 75.32 111.246 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -85.26 7.83 20.72 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.945 0.721 . . . . 72.24 112.945 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.498 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 37.2 ptt180 -104.09 99.59 9.33 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.68 -0.859 . . . . 74.53 108.68 169.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.4 m -100.31 155.09 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 122.048 -0.407 . . . . 55.01 110.12 -175.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.76 118.56 31.58 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.145 -1.058 . . . . 70.33 108.145 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.571 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . . . -105.69 135.1 47.72 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.09 0.556 . . . . 52.45 110.268 -175.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 145' ' ' ASP . 50.7 ttp180 -73.33 120.03 18.39 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 108.828 -0.805 . . . . 73.44 108.828 -176.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -88.46 121.73 31.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.974 0.909 . . . . 72.44 109.924 -172.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -118.58 105.89 45.24 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.789 0.835 . . . . 63.5 108.984 172.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -64.59 148.4 90.43 Favored 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 122.144 1.896 . . . . 72.43 110.871 176.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.23 110.12 2.1 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.036 -0.727 . . . . 74.44 109.036 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -52.6 -32.03 39.38 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.533 1.133 . . . . 64.24 112.012 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -149.48 97.32 3.54 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 106.979 -1.489 . . . . 63.42 106.979 166.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.74 128.49 24.63 Favored 'Trans proline' 0 C--N 1.373 1.817 0 C-N-CA 122.669 2.246 . . . . 70.32 111.934 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -130.26 156.94 43.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.369 1.068 . . . . 63.13 109.356 -177.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.46 141.36 28.6 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.12 0.568 . . . . 72.31 110.772 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 84' ' ' GLU . 33.4 m -136.15 158.97 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.747 1.219 . . . . 63.34 109.327 -174.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -106.15 112.47 25.52 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.077 -0.712 . . . . 73.34 109.077 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -95.48 123.77 39.18 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 107.355 -1.35 . . . . 54.05 107.355 172.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.27 151.71 39.8 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.518 -0.549 . . . . 75.35 109.518 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.4 p -123.5 168.2 12.9 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 118.583 0.629 . . . . 74.11 110.971 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.3 p -86.94 -33.56 19.63 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.887 -1.051 . . . . 73.34 110.524 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -75.69 -31.79 59.85 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.654 0.782 . . . . 71.43 111.805 -173.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.44 -122.83 1.09 Allowed Glycine 0 CA--C 1.532 1.148 0 CA-C-O 118.659 -1.078 . . . . 70.42 112.683 -174.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -62.74 152.6 77.45 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 123.533 2.822 . . . . 71.32 112.795 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -67.14 145.7 73.91 Favored 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 122.712 2.275 . . . . 74.1 113.071 -176.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.25 117.31 29.53 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.25 1.02 . . . . 51.41 109.633 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 44.6 mt-10 -81.02 120.16 24.43 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.173 0.589 . . . . 73.41 110.858 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.545 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 41.1 m-85 -122.5 146.68 47.17 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.076 0.95 . . . . 75.2 108.869 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.1 m -89.19 137.53 32.23 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 108.903 -0.777 . . . . 61.04 108.903 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -73.01 112.03 8.66 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.856 -0.794 . . . . 75.44 108.856 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -81.58 -52.82 6.8 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.409 0.684 . . . . 75.45 110.639 177.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.48 177.12 11.72 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.33 -0.85 . . . . 73.12 110.743 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.3 t -135.43 118.8 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 N-CA-C 107.536 -1.283 . . . . 74.43 107.536 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.43 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.0 mm? -95.7 119.92 35.06 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.25 0.62 . . . . 52.3 111.158 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.14 125.86 7.06 Favored Glycine 0 C--N 1.342 0.915 0 N-CA-C 110.632 -0.987 . . . . 72.15 110.632 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.571 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 37.1 p90 -161.23 154.78 21.79 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 117.706 0.753 . . . . 52.33 110.847 -171.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -81.16 152.84 27.55 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.939 -0.393 . . . . 75.11 109.939 173.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.519 HD23 HG11 ' A' ' 176' ' ' VAL . 28.6 tp -169.68 134.39 1.38 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 108.48 -0.933 . . . . 75.14 108.48 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.63 -101.49 1.79 Allowed Glycine 0 C--N 1.35 1.338 0 N-CA-C 110.285 -1.126 . . . . 74.14 110.285 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -129.15 -2.85 5.07 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.357 0.663 . . . . 74.35 110.187 169.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.2 m -129.35 167.59 17.53 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.433 0.635 . . . . 63.15 112.676 -166.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -86.35 139.66 30.77 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.164 -1.05 . . . . 73.41 108.164 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -141.06 140.71 34.28 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.128 0.971 . . . . 73.15 109.375 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 31.6 m -135.62 119.28 17.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.448 0.299 . . . . 74.31 110.708 -175.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -103.89 142.85 33.69 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.524 1.13 . . . . 75.11 109.381 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.9 m -88.14 123.31 32.67 Favored 'General case' 0 C--O 1.243 0.717 0 N-CA-C 109.043 -0.725 . . . . 61.25 109.043 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.663 ' HA ' HG12 ' A' ' 115' ' ' VAL . . . -97.3 122.86 40.81 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.303 0.641 . . . . 74.22 109.45 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.545 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 51.0 m-85 -101.59 170.54 8.12 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.696 0.622 . . . . 52.44 110.338 178.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.664 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 36.7 ttt180 -126.03 131.16 52.24 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.576 -0.898 . . . . 62.43 108.576 -173.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 110' ' ' GLU . 1.8 m -111.8 115.25 49.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 107.748 -1.204 . . . . 64.31 107.748 173.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.24 136.54 56.74 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.033 -0.985 . . . . 74.45 111.213 -170.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 100.36 -34.38 5.59 Favored Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.221 -0.9 . . . . 70.44 111.726 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.446 ' HB2' HG23 ' A' ' 107' ' ' VAL . 10.3 mm-40 -87.79 136.49 32.93 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 123.348 0.659 . . . . 73.32 110.011 176.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.4 m -79.62 -18.1 52.31 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.819 -0.628 . . . . 71.21 110.678 170.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 m -90.57 135.13 33.9 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 123.339 0.655 . . . . 62.3 110.216 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.4 mt -81.68 149.63 28.42 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.808 0.843 . . . . 65.43 110.039 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.3 111.21 22.1 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.592 -0.892 . . . . 55.54 108.592 -177.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 104' ' ' ALA . 20.0 m -107.68 116.56 57.33 Favored Pre-proline 0 N--CA 1.48 1.059 0 N-CA-C 108.877 -0.786 . . . . 64.51 108.877 175.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -84.22 148.33 11.7 Favored 'Trans proline' 0 C--N 1.368 1.585 0 C-N-CA 122.306 2.004 . . . . 72.31 109.66 163.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -164.7 163.44 21.54 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.142 0.496 . . . . 74.43 110.676 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.4 p -130.57 154.19 48.1 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.966 -1.015 . . . . 73.45 108.877 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -114.0 -172.25 2.05 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 108.08 -1.082 . . . . 65.24 108.08 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -73.33 -28.36 62.03 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.856 -0.794 . . . . 72.43 108.856 160.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.454 HG22 ' HB3' ' A' ' 126' ' ' ARG . 2.2 m -65.9 -38.32 88.4 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.441 1.496 . . . . 72.21 111.332 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 46.9 p -69.51 -45.32 69.16 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.202 0.601 . . . . 54.41 110.972 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.99 -19.42 62.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.7 0.8 . . . . 70.35 111.524 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -76.15 -18.65 59.02 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.851 0.86 . . . . 70.02 110.427 171.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.59 -0.03 86.54 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 115.812 -0.631 . . . . 22.15 113.608 -175.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.454 ' HB3' HG22 ' A' ' 121' ' ' THR . 14.3 tpp180 -72.34 -39.67 67.98 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.792 0.837 . . . . 72.24 109.849 -176.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.8 p -118.44 -177.57 3.32 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.007 -0.997 . . . . 71.14 109.712 171.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -62.61 99.74 0.16 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.402 1.081 . . . . 64.44 111.729 -166.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.74 -52.07 66.42 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.293 1.037 . . . . 72.52 112.365 -173.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -77.42 6.97 5.97 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 116.078 -0.51 . . . . 74.35 112.195 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 134.07 143.36 4.88 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 112.067 -0.413 . . . . 41.42 112.067 167.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 -126.59 140.94 52.05 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.402 -1.333 . . . . 73.14 107.402 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.28 172.51 6.75 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.082 0.467 . . . . 63.55 111.601 -175.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.7 tt -153.17 138.47 17.51 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 106.764 -1.569 . . . . 71.31 106.764 170.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.5 110.95 23.37 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.457 -0.942 . . . . 73.35 108.457 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.7 122.82 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 CA-C-N 115.154 -0.93 . . . . 62.31 108.872 -171.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -87.6 122.35 70.54 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 108.525 -0.917 . . . . 65.02 108.525 178.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.82 -28.28 86.86 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 122.625 2.217 . . . . 64.52 113.095 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 53.16 30.41 9.74 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 114.444 1.275 . . . . 73.2 114.444 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 58.98 27.8 62.76 Favored Glycine 0 N--CA 1.477 1.412 0 N-CA-C 114.117 0.407 . . . . 42.42 114.117 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.12 161.53 28.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.597 0.759 . . . . 65.22 110.928 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -140.13 179.68 6.49 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.758 -0.656 . . . . 63.1 109.357 -174.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -58.42 104.71 0.52 Allowed Glycine 0 C--N 1.353 1.514 0 C-N-CA 123.602 0.62 . . . . 71.04 113.352 -174.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.2 0.85 33.45 Favored Glycine 0 N--CA 1.467 0.751 0 CA-C-O 119.344 -0.698 . . . . 73.0 114.009 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 63' ' ' ARG . 21.7 m-20 -82.86 -169.16 2.36 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 117.665 0.733 . . . . 64.11 109.597 174.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -138.97 155.35 48.08 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 120.91 0.386 . . . . 74.31 111.577 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 21.9 m -137.17 177.09 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 124.463 1.105 . . . . 73.42 109.653 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.59 130.3 34.61 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.076 0.55 . . . . 71.44 111.684 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.0 mt -126.22 86.25 2.5 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.414 1.086 . . . . 74.31 108.422 166.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.498 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 25.4 p-10 -91.73 97.76 11.21 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.114 -0.948 . . . . 74.34 109.674 176.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -73.03 -26.31 61.26 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.098 -0.956 . . . . 64.32 111.634 -172.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.409 ' HB3' ' HB1' ' A' ' 182' ' ' ALA . 10.2 p-10 -68.48 -17.6 64.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.001 0.521 . . . . 61.34 111.327 174.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 19' ' ' ILE . 2.2 mm? -110.56 18.28 19.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.443 0.697 . . . . 65.24 111.722 174.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.1 149.72 27.11 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-O 121.525 0.679 . . . . 72.34 111.2 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -97.68 177.03 5.62 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.727 -1.124 . . . . 72.35 108.046 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -152.81 159.0 32.96 Favored Pre-proline 0 N--CA 1.471 0.582 0 O-C-N 121.911 -0.493 . . . . 71.44 110.968 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -80.79 124.46 5.09 Favored 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 121.315 1.343 . . . . 54.43 109.377 163.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -81.62 0.35 38.85 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.349 0.659 . . . . 72.25 111.651 -176.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 42.1 t -56.23 -30.44 62.36 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.351 -0.841 . . . . 72.04 110.813 159.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.65 -27.23 66.69 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.866 0.867 . . . . 64.12 111.712 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -81.19 11.17 4.44 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.716 0.807 . . . . 73.14 111.68 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 104.24 6.72 41.68 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-O 119.395 -0.669 . . . . 72.22 114.423 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -81.0 159.25 41.46 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 117.612 0.706 . . . . 65.01 112.206 174.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 32.1 p -105.66 69.89 0.85 Allowed 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.276 0.56 . . . . 74.42 110.791 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -129.45 158.31 39.54 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.593 0.757 . . . . 75.02 111.289 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 42.9 p -74.7 115.55 14.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.237 -0.892 . . . . 71.21 112.098 -169.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 159' ' ' CYS . 33.8 m -100.63 113.81 26.98 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 107.616 -1.253 . . . . 34.42 107.616 174.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -72.68 100.25 2.77 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.944 -0.762 . . . . 63.41 108.944 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.59 121.31 47.85 Favored Pre-proline 0 CA--C 1.547 0.839 0 O-C-N 124.687 1.242 . . . . 74.1 110.274 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.09 138.31 43.35 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 122.312 2.008 . . . . 65.3 111.747 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.66 179.73 5.68 Favored 'Trans proline' 0 C--N 1.37 1.699 0 C-N-CA 122.566 2.177 . . . . 61.34 112.648 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -56.65 -27.93 59.56 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.236 1.014 . . . . 61.52 113.324 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -71.35 -26.22 62.72 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.776 0.322 . . . . 62.23 111.192 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -98.98 1.01 45.11 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.409 0.683 . . . . 71.32 110.54 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -85.84 116.75 24.28 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 108.824 -0.806 . . . . 62.41 108.824 170.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.519 HG11 HD23 ' A' ' 95' ' ' LEU . 89.4 t -94.69 115.68 65.57 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 124.515 1.126 . . . . 71.32 108.916 173.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -73.57 66.27 4.66 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.785 2.323 . . . . 72.5 111.472 166.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -152.13 139.56 19.53 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 124.793 1.237 . . . . 35.54 107.883 174.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.15 103.93 12.11 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.139 -0.689 . . . . 61.21 109.139 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.9 mp -93.81 98.23 7.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 106.34 -1.726 . . . . 74.52 106.34 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 36.6 p -84.77 59.77 5.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 122.569 1.176 . . . . 62.25 109.271 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' ' 152' ' ' ASN . . . -162.31 120.72 2.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 113.284 -1.78 . . . . 61.42 106.527 -177.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 173.41 -151.1 12.88 Favored Glycine 0 CA--C 1.498 -1.004 0 N-CA-C 109.877 -1.289 . . . . 61.35 109.877 -171.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -113.45 140.33 48.18 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 107.412 -1.329 . . . . 71.41 107.412 151.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -83.88 153.99 23.69 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 109.883 -0.414 . . . . 73.44 109.883 -171.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 24.9 t -123.95 137.67 56.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 108.323 -0.991 . . . . 74.22 108.323 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.23 147.81 25.93 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.485 0.714 . . . . 74.4 110.175 -172.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -57.39 -19.87 25.96 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 124.231 0.957 . . . . 71.23 111.957 164.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.5 -34.0 74.74 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.519 1.128 . . . . 74.31 111.275 173.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.76 -49.94 5.61 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.417 0.687 . . . . 74.23 109.477 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 . . . . . 0 C--O 1.251 1.143 0 C-N-CA 123.682 0.793 . . . . 75.51 111.081 -177.588 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.413 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.6 mpp? . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 107.79 -1.189 . . . . 54.22 107.79 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.45 ' H ' ' HD2' ' A' ' 3' ' ' PRO . 49.8 m -157.0 -43.4 0.0 OUTLIER Pre-proline 0 CA--C 1.556 1.206 0 C-N-CA 125.629 1.572 . . . . 61.4 108.324 176.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.45 ' HD2' ' H ' ' A' ' 2' ' ' SER . 90.7 Cg_endo -80.27 159.25 23.15 Favored 'Trans proline' 0 C--N 1.4 3.254 0 C-N-CA 121.4 1.4 . . . . 64.21 111.104 160.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.511 HG22 ' HG ' ' A' ' 6' ' ' LEU . 13.4 mt -73.75 128.68 86.44 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 123.259 0.624 . . . . 72.1 109.901 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -65.76 128.24 19.52 Favored 'Trans proline' 0 C--N 1.371 1.713 0 C-N-CA 122.784 2.323 . . . . 72.44 110.787 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.511 ' HG ' HG22 ' A' ' 4' ' ' ILE . 24.9 mt -159.52 -53.72 0.01 OUTLIER Pre-proline 0 N--CA 1.483 1.192 0 C-N-CA 125.054 1.342 . . . . 52.34 109.935 -166.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.453 ' HD2' ' H ' ' A' ' 6' ' ' LEU . 66.9 Cg_endo -80.08 19.57 1.02 Allowed 'Trans proline' 0 C--N 1.396 3.055 0 C-N-CA 122.221 1.948 . . . . 71.34 112.459 178.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.33 -28.52 39.68 Favored 'Isoleucine or valine' 0 C--N 1.363 1.159 0 C-N-CA 123.981 0.912 . . . . 72.45 109.455 169.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -91.09 98.57 11.84 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 124.892 1.277 . . . . 61.13 109.067 168.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.55 156.87 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.582 1.153 . . . . 75.53 113.781 167.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.0 t -50.59 141.46 12.5 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 114.768 -1.105 . . . . 72.24 110.286 172.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -47.28 -36.63 9.42 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 114.493 1.294 . . . . 73.02 114.493 -165.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.89 -53.9 49.48 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.668 0.787 . . . . 64.04 111.395 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.39 -34.12 72.18 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.252 1.021 . . . . 72.21 111.138 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.418 ' O ' HG13 ' A' ' 19' ' ' ILE . 60.2 t90 -65.99 -45.25 82.31 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.78 1.232 . . . . 64.11 109.455 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HA ' HD12 ' A' ' 19' ' ' ILE . 23.5 ttm180 -63.76 -39.83 95.23 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.404 1.081 . . . . 71.33 110.565 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.69 88.47 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.511 0.724 . . . . 71.03 111.431 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -63.18 -45.57 91.2 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 122.796 0.439 . . . . 74.33 110.22 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 16' ' ' ARG . 82.9 mt -57.03 -47.26 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 O-C-N 123.88 0.737 . . . . 64.44 110.594 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.45 -44.26 84.6 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 124.575 1.172 . . . . 75.11 110.555 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.6 76.13 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.55 -0.75 . . . . 71.21 111.499 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -67.19 -46.61 73.42 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.03 0.932 . . . . 64.11 111.039 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 27' ' ' ASP . 28.3 ptt180 -74.14 -32.26 63.07 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.029 -0.532 . . . . 74.15 110.698 -177.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.85 -40.88 79.11 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.932 0.493 . . . . 55.54 110.804 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.6 -55.85 29.78 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.912 -1.04 . . . . 71.45 110.372 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.617 ' HE2' ' HB3' ' A' ' 155' ' ' TYR . 47.6 mttp -68.34 -23.7 64.73 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.728 -0.669 . . . . 62.25 111.742 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.484 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -63.52 -54.76 31.24 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.405 0.621 . . . . 73.2 109.484 173.497 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -83.35 -13.25 55.43 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.22 -0.9 . . . . 64.44 111.412 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -55.34 -60.05 3.95 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.727 0.811 . . . . 74.12 111.668 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.711 ' HB2' ' HB ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -75.0 -24.81 58.48 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.612 -0.267 . . . . 71.54 110.982 -178.496 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.74 -44.77 55.31 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.752 0.421 . . . . 64.04 111.562 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.4 p -119.06 -56.87 2.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.334 0.653 . . . . 42.33 111.455 -170.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -56.29 133.59 52.77 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.253 0.621 . . . . 64.31 112.462 -175.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.25 -15.61 61.92 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.595 1.158 . . . . 52.24 113.118 -168.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -61.54 -37.05 82.36 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.05 0.54 . . . . 72.42 112.278 -172.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -155.65 78.35 4.52 Favored Pre-proline 0 N--CA 1.48 1.064 0 C-N-CA 123.667 0.787 . . . . 63.53 109.057 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.63 128.21 14.92 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 122.376 2.051 . . . . 75.34 111.618 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.711 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 18.5 tt -69.82 136.01 87.72 Favored Pre-proline 0 CA--C 1.552 1.044 0 N-CA-C 108.384 -0.969 . . . . 60.14 108.384 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -35.62 134.44 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 124.405 3.403 . . . . 54.53 115.174 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -54.69 -25.1 40.4 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 124.14 3.227 . . . . 74.31 114.546 -171.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.38 76.91 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.05 0.54 . . . . 53.44 110.839 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -76.32 -37.44 57.38 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.726 0.81 . . . . 74.21 110.147 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HB2' HG23 ' A' ' 38' ' ' ILE . 37.6 ttp180 -67.33 -35.14 78.79 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.981 0.912 . . . . 63.32 111.395 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.95 -44.13 47.27 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.727 -0.549 . . . . 61.2 111.727 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.82 21.2 3.15 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.973 0.909 . . . . 74.31 112.435 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.98 108.63 2.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.823 0.849 . . . . 62.05 111.687 -175.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -94.84 -38.51 10.71 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.991 0.916 . . . . 70.53 109.799 170.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.92 168.97 11.85 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.103 -0.953 . . . . 73.23 111.602 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 27' ' ' ASP . 1.2 pt? -135.99 80.5 1.83 Allowed 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 122.202 1.001 . . . . 61.1 109.406 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.51 123.8 2.22 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.933 -1.031 . . . . 73.41 109.27 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -131.24 -158.08 0.87 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.25 1.02 . . . . 61.22 108.545 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -55.53 111.98 1.02 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 109.123 -0.695 . . . . 72.15 109.123 176.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 152' ' ' ASN . 21.8 p-10 -122.56 -51.78 1.94 Allowed 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.056 -1.028 . . . . 73.31 110.564 -171.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.451 ' HA ' HD22 ' A' ' 152' ' ' ASN . 3.9 mt -80.76 105.81 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 121.467 0.651 . . . . 53.43 110.776 -175.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.452 ' H ' ' ND2' ' A' ' 152' ' ' ASN . 30.3 t70 -136.28 114.19 11.27 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.202 -1.363 . . . . 70.22 109.544 166.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.95 -10.55 58.98 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.448 0.907 . . . . 54.25 113.448 -171.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 m -75.03 -27.92 60.26 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 110.017 -0.364 . . . . 63.13 110.017 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.498 ' HB2' ' HB3' ' A' ' 152' ' ' ASN . 67.0 m-85 -90.61 13.17 16.68 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 113.091 0.774 . . . . 75.34 113.091 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -112.43 115.86 29.36 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.521 -0.918 . . . . 74.13 108.521 173.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.9 m -115.49 171.07 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.372 0.669 . . . . 62.12 110.369 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.27 125.66 53.35 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.093 -1.077 . . . . 71.13 108.093 170.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -110.5 146.32 36.18 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.731 0.813 . . . . 72.35 110.248 -175.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -80.11 120.42 24.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.199 -0.667 . . . . 72.44 109.199 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -82.11 122.26 27.63 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.899 0.88 . . . . 74.3 109.811 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -124.07 100.44 36.46 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 124.288 1.035 . . . . 75.3 108.46 173.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -69.66 148.0 64.73 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.172 1.915 . . . . 54.25 111.278 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.9 99.82 3.92 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.901 -1.148 . . . . 63.53 107.901 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -60.61 -23.35 64.65 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.108 0.963 . . . . 71.42 109.627 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -123.65 90.85 50.27 Favored Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 108.533 -0.914 . . . . 75.41 108.533 167.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.45 131.86 19.63 Favored 'Trans proline' 0 C--N 1.367 1.546 0 C-N-CA 122.058 1.838 . . . . 53.3 111.443 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -133.61 147.2 51.47 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.03 0.532 . . . . 74.44 111.112 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.17 126.52 31.59 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.151 0.98 . . . . 71.04 110.077 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.6 m -122.22 154.37 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.814 1.246 . . . . 75.4 108.963 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 84' ' ' GLU . 37.5 mt-10 -111.4 112.67 24.58 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.192 0.997 . . . . 74.43 108.933 -178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -99.36 141.02 32.67 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.522 -0.918 . . . . 74.2 108.522 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.81 149.89 48.53 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.079 0.552 . . . . 62.41 110.626 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.0 p -138.7 162.44 34.68 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.558 0.343 . . . . 73.33 110.304 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.2 p -95.62 -34.42 12.0 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.424 0.69 . . . . 74.44 110.912 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.758 ' HB2' ' SG ' ' A' ' 159' ' ' CYS . 4.1 tmt_? -75.24 -31.45 60.82 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.767 0.427 . . . . 74.53 111.922 -175.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.93 -138.89 2.7 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 120.338 -0.934 . . . . 71.13 114.379 -175.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -62.93 158.07 45.12 Favored 'Trans proline' 0 C--N 1.381 2.248 0 C-N-CA 123.559 2.839 . . . . 54.2 112.952 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HB2' ' HB3' ' A' ' 74' ' ' GLU . 23.3 Cg_endo -59.08 137.88 82.06 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.381 2.054 . . . . 74.51 111.634 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.19 124.75 36.5 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 123.886 0.874 . . . . 74.2 109.695 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 40.2 mt-10 -84.53 123.84 30.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.929 0.891 . . . . 53.44 110.246 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -139.5 147.61 41.52 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.272 1.029 . . . . 73.41 108.43 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.7 m -99.03 140.42 33.2 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.63 -0.508 . . . . 51.53 109.63 -175.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.9 mtm105 -75.18 108.73 8.13 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.467 -0.938 . . . . 73.32 108.467 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.462 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -88.88 -41.27 12.55 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.527 0.731 . . . . 75.24 110.345 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . . . -157.59 174.78 14.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.61 -0.723 . . . . 71.34 110.809 -176.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.4 t -138.83 125.09 24.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 C-N-CA 125.485 1.514 . . . . 72.53 107.483 171.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -96.04 123.56 39.69 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.513 1.125 . . . . 54.22 109.948 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -107.73 117.07 5.07 Favored Glycine 0 C--N 1.341 0.806 0 N-CA-C 109.994 -1.242 . . . . 44.0 109.994 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.54 ' HE1' ' HB2' ' A' ' 102' ' ' LEU . 38.5 p90 -147.05 149.56 33.33 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.205 0.602 . . . . 70.33 110.517 -171.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 3.4 m-20 -81.93 138.03 35.06 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.211 0.604 . . . . 51.31 109.696 173.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 180' ' ' ILE . 29.2 tp -158.11 124.7 4.82 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 108.708 -0.849 . . . . 74.44 108.708 178.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.9 -102.2 1.2 Allowed Glycine 0 C--N 1.351 1.412 0 N-CA-C 111.064 -0.814 . . . . 63.32 111.064 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -113.56 -14.31 12.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.335 1.054 . . . . 74.43 111.246 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.537 ' HB2' ' HG3' ' A' ' 177' ' ' PRO . 44.2 m -129.55 135.36 48.49 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.358 0.599 . . . . 55.21 112.439 -162.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 9.0 p80 -83.79 111.69 19.42 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 107.54 -1.281 . . . . 72.41 107.54 167.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -125.9 162.43 25.2 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 124.682 1.193 . . . . 62.21 108.323 -167.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.4 p -105.59 160.02 15.5 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.907 0.483 . . . . 65.53 110.698 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 117' ' ' PHE . 14.5 tp -147.04 119.18 8.25 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.96 -0.564 . . . . 62.53 109.561 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.544 ' H ' ' ND2' ' A' ' 174' ' ' ASN . 8.6 m -81.62 123.84 29.03 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 110.026 -0.361 . . . . 73.1 110.026 -172.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . . . -94.39 118.44 31.63 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.199 -1.037 . . . . 65.34 108.199 176.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -92.36 158.81 15.88 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.612 0.72 . . . . 74.33 111.774 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.462 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 31.3 ttt-85 -97.64 120.45 38.04 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.408 -1.269 . . . . 74.44 109.379 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -114.75 114.62 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.233 1.013 . . . . 42.42 109.475 171.266 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.98 142.79 50.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.263 -0.881 . . . . 74.42 110.904 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.78 -37.66 3.34 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 115.643 -0.708 . . . . 62.05 111.682 -169.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.487 ' HB2' HG23 ' A' ' 107' ' ' VAL . 1.3 mp0 -87.73 126.3 34.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.342 1.057 . . . . 71.44 109.655 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.6 t -75.01 -13.57 60.52 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.202 0.601 . . . . 74.33 110.873 171.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.4 m -88.98 144.47 26.15 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.456 0.702 . . . . 51.11 110.028 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.402 ' HG ' ' HD3' ' A' ' 138' ' ' PRO . 74.8 mt -82.85 136.38 34.64 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.635 -0.876 . . . . 63.5 108.635 170.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.26 99.98 11.64 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.42 -1.326 . . . . 55.11 107.42 -176.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.8 t -111.17 103.62 55.14 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 123.462 0.705 . . . . 63.41 109.875 -169.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.503 ' HB2' ' HG3' ' A' ' 170' ' ' PRO . 60.7 Cg_endo -84.2 144.8 10.7 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.869 2.379 . . . . 70.13 112.344 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.598 ' HB3' HD11 ' A' ' 102' ' ' LEU . 47.8 p90 -149.84 153.9 37.52 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.633 0.73 . . . . 72.51 112.481 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 p -127.16 148.2 50.18 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 113.607 -1.633 . . . . 74.32 108.459 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.459 ' HB3' HD13 ' A' ' 180' ' ' ILE . 1.0 OUTLIER -123.7 -172.74 2.59 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.583 1.153 . . . . 62.23 110.568 -174.061 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.16 -27.06 42.68 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.02 0.528 . . . . 75.4 111.449 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.489 HG21 ' HB ' ' A' ' 181' ' ' THR . 0.0 OUTLIER -71.88 -13.25 61.61 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.197 0.599 . . . . 71.44 111.751 -178.082 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.503 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 62.8 p -60.3 -40.01 88.98 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.572 0.749 . . . . 75.14 111.403 171.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.8 -29.48 70.75 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.434 1.094 . . . . 43.13 111.773 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -76.37 -24.22 54.15 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.601 0.76 . . . . 63.31 110.258 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.669 ' HA3' ' HB2' ' A' ' 188' ' ' ALA . . . 75.55 -5.11 39.13 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-N 115.749 -0.66 . . . . 72.54 114.1 -176.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -77.55 -15.64 59.13 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.17 0.588 . . . . 73.54 111.122 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 128' ' ' TYR . 1.2 m -125.39 -176.8 3.69 Favored 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 107.664 -1.236 . . . . 53.4 107.664 173.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.447 ' H ' HG22 ' A' ' 127' ' ' THR . 14.9 m-85 -74.04 89.56 1.95 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.944 0.898 . . . . 73.13 112.582 -160.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.503 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 12.6 pt-20 -70.73 -22.16 62.46 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.733 0.413 . . . . 53.15 111.499 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -77.15 -18.81 57.58 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.142 0.577 . . . . 74.31 110.262 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 109.58 176.37 21.21 Favored Glycine 0 C--N 1.345 1.042 0 CA-C-N 115.528 -0.76 . . . . 63.4 112.683 173.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 0.6 OUTLIER -124.61 163.07 22.75 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.665 1.186 . . . . 74.14 109.667 177.504 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.462 ' OH ' ' HB3' ' A' ' 168' ' ' ALA . 6.0 m-85 -118.92 166.51 12.75 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.631 -1.168 . . . . 75.42 108.757 164.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.53 134.51 22.59 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 107.853 -1.165 . . . . 70.22 107.853 174.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -96.78 100.79 12.32 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 108.09 -1.078 . . . . 75.32 108.09 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.01 119.9 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 115.624 -0.716 . . . . 30.32 109.083 -174.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -97.49 119.99 61.67 Favored Pre-proline 0 N--CA 1.472 0.647 0 N-CA-C 108.062 -1.088 . . . . 71.41 108.062 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.402 ' HD3' ' HG ' ' A' ' 113' ' ' LEU . 49.3 Cg_endo -67.89 -24.93 39.39 Favored 'Trans proline' 0 C--N 1.37 1.658 0 C-N-CA 122.674 2.249 . . . . 74.43 113.008 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 57.53 -80.53 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.647 1.179 . . . . 71.12 110.439 -167.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -155.55 44.57 0.54 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.65 -0.98 . . . . 62.52 110.65 171.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -79.75 142.2 35.62 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.25 0.62 . . . . 51.53 109.756 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -131.54 -179.89 5.64 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 108.008 -1.108 . . . . 72.22 108.008 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -47.35 99.46 0.02 OUTLIER Glycine 0 C--N 1.355 1.611 0 C-N-CA 124.267 0.937 . . . . 72.13 114.613 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 111.69 -1.16 27.54 Favored Glycine 0 N--CA 1.47 0.928 0 CA-C-O 119.292 -0.727 . . . . 71.31 114.848 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -81.63 -172.28 3.77 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 118.015 0.907 . . . . 61.21 108.906 173.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.38 155.45 48.51 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.301 0.572 . . . . 54.44 112.378 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 13.4 m -141.19 152.77 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.317 1.447 . . . . 75.45 108.726 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.37 116.5 15.11 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.936 0.495 . . . . 73.53 111.83 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.7 mt -99.76 93.81 6.01 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.646 0.778 . . . . 73.05 109.964 170.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.457 ' HB3' HD23 ' A' ' 153' ' ' LEU . 30.9 m-20 -93.08 96.35 10.0 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.749 -0.659 . . . . 72.41 109.39 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.496 ' HB3' HG21 ' A' ' 180' ' ' ILE . 12.8 m-85 -72.61 -32.59 66.06 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.229 0.538 . . . . 65.32 111.321 -174.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.498 ' HB3' ' HB2' ' A' ' 58' ' ' PHE . 6.2 p-10 -74.54 -13.1 60.63 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.256 -0.884 . . . . 74.41 111.699 -175.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.457 HD23 ' HB3' ' A' ' 150' ' ' ASP . 1.3 mm? -109.25 20.52 18.21 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.586 0.754 . . . . 75.12 110.697 172.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.15 140.52 52.69 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.821 0.701 . . . . 62.05 110.975 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.617 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 98.3 m-85 -97.7 157.4 16.07 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 115.018 -0.992 . . . . 74.43 110.369 -168.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.405 ' OD1' ' HD3' ' A' ' 26' ' ' LYS . 6.6 p30 -100.56 123.43 46.1 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 114.788 -1.096 . . . . 62.13 113.381 -162.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.89 126.08 11.61 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 121.817 1.678 . . . . 62.43 109.882 160.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -85.39 -9.7 57.23 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.827 0.851 . . . . 74.31 112.592 -168.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . 0.758 ' SG ' ' HB2' ' A' ' 79' ' ' ARG . 34.7 t -55.31 -46.06 76.3 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.353 1.061 . . . . 52.31 111.785 178.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.81 -13.16 62.14 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.384 -0.825 . . . . 61.42 111.823 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -92.4 10.83 28.31 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.343 1.057 . . . . 74.32 110.054 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 124.87 -82.5 0.35 Allowed Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.824 -0.625 . . . . 72.02 112.026 170.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -135.58 99.29 0.31 Allowed Glycine 0 C--N 1.343 0.925 0 O-C-N 123.751 0.324 . . . . 43.14 112.562 -169.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 65.1 m -157.28 -159.62 0.87 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.599 1.159 . . . . 73.52 108.674 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.438 ' O ' ' HB2' ' A' ' 159' ' ' CYS . 97.1 m-85 -69.98 157.63 37.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.206 0.603 . . . . 63.24 109.723 170.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 77.7 p -67.15 151.18 48.04 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.992 0.917 . . . . 54.13 112.301 -175.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 159' ' ' CYS . 25.4 p -104.33 116.34 31.98 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.428 -0.953 . . . . 74.32 108.428 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.462 ' HB3' ' OH ' ' A' ' 133' ' ' TYR . . . -70.83 100.5 1.93 Allowed 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.32 -0.622 . . . . 74.34 109.32 177.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 170' ' ' PRO . 87.4 mt -57.58 115.4 10.76 Favored Pre-proline 0 C--O 1.246 0.899 0 C-N-CA 124.495 1.118 . . . . 75.15 109.463 176.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.503 ' HG3' ' HB2' ' A' ' 116' ' ' PRO . 34.7 Cg_exo -60.92 131.39 36.96 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.633 2.222 . . . . 73.31 111.856 -174.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -53.57 167.51 0.93 Allowed 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 123.517 2.811 . . . . 74.22 113.659 176.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -60.46 -28.4 68.28 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.65 -0.705 . . . . 72.24 111.32 173.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.09 -14.82 59.75 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.752 0.821 . . . . 74.31 111.429 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.544 ' ND2' ' H ' ' A' ' 103' ' ' THR . 10.9 m120 -107.01 13.97 26.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.849 0.86 . . . . 53.14 110.762 173.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -95.59 105.93 17.97 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.285 -1.006 . . . . 73.35 108.285 170.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 31.1 m -77.52 150.87 79.95 Favored Pre-proline 0 CA--C 1.556 1.182 0 C-N-CA 123.262 0.625 . . . . 71.01 109.89 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.537 ' HG3' ' HB2' ' A' ' 98' ' ' SER . 28.2 Cg_endo -86.48 22.77 0.89 Allowed 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 123.108 2.539 . . . . 72.55 113.444 -174.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -133.89 157.15 46.71 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.315 0.646 . . . . 42.13 109.859 -177.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 121' ' ' THR . . . -88.38 123.03 32.54 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.013 0.925 . . . . 63.5 109.931 178.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . 0.572 HD11 HD21 ' A' ' 95' ' ' LEU . 2.5 mp -109.93 92.59 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 107.057 -1.46 . . . . 73.41 107.057 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . 0.489 ' HB ' HG21 ' A' ' 121' ' ' THR . 2.7 t -103.54 89.08 3.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.374 -0.83 . . . . 74.32 109.752 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -171.83 115.49 0.37 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.192 -1.04 . . . . 51.15 108.192 174.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . 168.2 -157.58 29.87 Favored Glycine 0 C--N 1.343 0.943 0 O-C-N 123.703 0.627 . . . . 52.23 111.86 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.74 131.58 51.33 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 107.489 -1.3 . . . . 74.34 107.489 157.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -66.17 150.84 48.15 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.467 0.576 . . . . 71.3 109.957 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 42.8 t -132.75 149.54 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 108.508 -0.923 . . . . 74.24 108.508 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . 0.403 ' HB2' HD23 ' A' ' 190' ' ' LEU . 8.8 m-20 -134.28 113.07 11.57 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.118 -0.697 . . . . 74.54 109.118 178.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.669 ' HB2' ' HA3' ' A' ' 125' ' ' GLY . . . -53.75 -28.25 33.4 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.396 1.078 . . . . 71.13 112.481 174.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.81 -42.25 93.06 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.077 0.951 . . . . 64.42 110.296 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 187' ' ' ASP . 3.6 mm? -85.37 -44.34 12.88 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.692 0.797 . . . . 63.35 110.132 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 . . . . . 0 CA--C 1.554 1.11 0 C-N-CA 123.825 0.85 . . . . 75.1 109.724 -178.21 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 110.19 -0.3 . . . . 73.35 110.19 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -110.8 89.37 9.21 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 108.385 -0.968 . . . . 54.03 108.385 174.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -82.36 -177.94 3.74 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 123.489 2.793 . . . . 72.1 111.402 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mt -67.89 119.74 68.89 Favored Pre-proline 0 CA--C 1.543 0.681 0 N-CA-C 108.85 -0.796 . . . . 62.53 108.85 167.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -75.85 124.23 7.94 Favored 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 122.469 2.112 . . . . 72.23 109.819 176.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 173.87 -59.89 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.383 0 C-N-CA 125.021 1.328 . . . . 65.32 107.952 -174.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -79.92 37.17 0.65 Allowed 'Trans proline' 0 C--N 1.402 3.352 0 C-N-CA 122.276 1.984 . . . . 74.35 113.873 -177.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.488 HG11 ' HB2' ' A' ' 139' ' ' ALA . 10.8 m -76.87 -14.64 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-O 121.434 0.635 . . . . 63.43 109.796 162.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 t -101.28 109.7 21.59 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 106.263 -1.754 . . . . 74.11 106.263 161.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.62 178.45 1.65 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.256 0.836 . . . . 75.41 113.256 -172.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.7 t -51.16 145.09 8.27 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 114.608 -1.178 . . . . 52.04 109.202 162.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -49.61 -26.21 3.43 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.533 1.308 . . . . 72.32 114.533 -167.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.27 -61.27 2.22 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.984 0.913 . . . . 62.1 110.406 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 18' ' ' ARG . . . -74.87 -21.62 59.13 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.163 0.985 . . . . 74.42 111.52 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.435 ' NE1' HD11 ' A' ' 19' ' ' ILE . 24.8 t90 -70.8 -57.12 4.96 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.841 0.857 . . . . 74.21 109.848 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -65.86 -31.79 72.93 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.628 0.371 . . . . 61.2 111.207 178.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.0 -49.19 77.69 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.993 0.517 . . . . 75.34 110.657 169.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 5.9 ttt180 -58.03 -46.99 84.43 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 124.611 1.164 . . . . 63.54 110.25 -178.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.435 HD11 ' NE1' ' A' ' 15' ' ' TRP . 54.2 mt -66.78 -52.33 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 115.24 -0.891 . . . . 74.14 111.271 -176.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.92 99.56 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.672 0.608 . . . . 63.13 110.842 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.51 -40.69 63.85 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.124 0.57 . . . . 64.21 112.181 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -78.77 -29.11 44.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.405 0.282 . . . . 75.45 110.513 -177.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.0 tpt85 -76.92 -28.59 55.33 Favored 'General case' 0 C--O 1.21 -0.998 0 N-CA-C 108.923 -0.769 . . . . 74.22 108.923 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.72 80.59 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.901 0.48 . . . . 33.23 110.384 171.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.72 -45.67 93.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.681 0.793 . . . . 61.22 109.731 170.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -76.38 -13.88 60.11 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.217 -0.901 . . . . 73.23 112.612 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -77.93 -42.59 32.57 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.684 0.794 . . . . 74.31 110.425 168.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -82.84 -13.4 56.24 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 122.17 -0.331 . . . . 73.3 110.153 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -53.73 -45.24 70.44 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.996 0.918 . . . . 51.41 112.605 174.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -82.51 -14.38 55.06 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.356 0.502 . . . . 71.13 112.356 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.51 -50.93 4.76 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.272 0.629 . . . . 71.14 112.054 -174.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.9 p -107.96 -58.19 2.01 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.897 0.879 . . . . 50.43 110.581 -172.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -52.44 120.98 6.19 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.23 1.012 . . . . 53.53 111.335 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.38 -11.91 61.21 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.754 1.222 . . . . 45.24 113.062 -168.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -64.6 -24.73 67.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.685 0.794 . . . . 44.52 111.794 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 47.5 t -152.93 87.04 4.07 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 108.442 -0.947 . . . . 70.31 108.442 -174.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -87.28 129.85 2.82 Favored 'Trans proline' 0 C--N 1.367 1.505 0 C-N-CA 122.201 1.934 . . . . 74.31 114.231 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.421 HG13 ' HB2' ' A' ' 30' ' ' LEU . 15.7 mt -81.93 131.62 56.49 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 108.026 -1.102 . . . . 75.11 108.026 164.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.688 ' HD3' ' HA2' ' A' ' 162' ' ' GLY . 87.0 Cg_exo -49.03 130.68 24.31 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 123.634 2.89 . . . . 74.01 112.767 172.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -47.7 -37.9 28.39 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 124.835 3.69 . . . . 73.05 115.683 -169.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.05 83.51 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.335 0.254 . . . . 44.14 110.756 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.22 -33.35 65.29 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.871 0.868 . . . . 75.14 110.6 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -63.45 -22.24 66.77 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.617 0.767 . . . . 75.14 111.461 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.93 -35.06 89.85 Favored Glycine 0 C--N 1.348 1.241 0 CA-C-N 116.416 -0.357 . . . . 70.11 113.013 171.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.81 13.82 15.28 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.756 0.822 . . . . 62.24 112.11 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -88.56 119.4 28.98 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.655 -0.498 . . . . 74.52 109.655 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -108.22 -47.96 3.44 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 108.04 -1.096 . . . . 73.44 108.04 166.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.47 146.52 4.82 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 114.624 -1.171 . . . . 63.43 110.344 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.17 106.69 6.81 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.556 -0.905 . . . . 42.5 108.556 176.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 185' ' ' ARG . 0.0 OUTLIER -71.89 172.03 10.65 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.527 -0.916 . . . . 72.01 108.527 170.464 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' HA ' ' HB2' ' A' ' 185' ' ' ARG . 3.1 p90 -166.6 164.66 16.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.167 0.587 . . . . 72.12 110.332 -170.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -59.9 155.73 15.88 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.024 0.828 . . . . 65.32 109.421 171.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -74.8 150.82 39.18 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 108.128 -1.064 . . . . 73.11 108.128 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.415 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.5 mp -69.14 122.25 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 109.405 -0.591 . . . . 72.13 109.405 -167.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -112.26 128.32 56.23 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 122.976 0.51 . . . . 74.34 109.9 -172.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.09 -9.29 59.08 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.519 1.128 . . . . 73.03 112.096 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.1 m -70.28 -31.59 69.02 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.853 0.461 . . . . 74.43 110.619 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 182' ' ' ALA . 61.1 m-85 -104.17 12.65 33.59 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.444 0.698 . . . . 74.31 110.316 -178.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -93.35 83.26 4.55 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 107.194 -1.41 . . . . 75.44 107.194 165.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 m -104.07 170.19 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-O 120.925 0.393 . . . . 71.22 110.418 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.77 145.2 43.01 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.753 -0.832 . . . . 74.44 108.753 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.409 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . . . -127.63 141.18 51.69 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.27 0.628 . . . . 63.2 110.448 -178.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.4 ttm105 -73.66 116.32 14.11 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.01 -0.737 . . . . 74.3 109.01 -176.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -77.86 106.88 9.99 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.389 -0.823 . . . . 72.45 109.037 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -106.58 97.6 17.43 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 107.688 -1.227 . . . . 63.34 107.688 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -63.48 144.22 89.94 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 122.526 2.151 . . . . 72.13 110.482 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.0 98.53 0.43 Allowed 'General case' 0 C--N 1.345 0.405 0 CA-C-O 121.349 0.595 . . . . 74.42 110.232 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -61.87 -35.16 77.49 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.337 -1.301 . . . . 64.12 109.8 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -126.32 96.26 36.82 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 124.752 1.221 . . . . 70.24 108.921 168.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.02 121.11 5.24 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 122.508 2.139 . . . . 73.02 112.779 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -120.0 140.85 50.32 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.27 0.628 . . . . 60.05 111.546 -177.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.14 110.16 15.29 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.109 0.964 . . . . 65.14 110.129 174.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 m -106.52 160.04 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.24 1.016 . . . . 73.24 109.946 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -109.65 120.05 41.29 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.938 0.895 . . . . 73.13 108.646 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.619 ' HB2' ' HB1' ' A' ' 168' ' ' ALA . 0.7 OUTLIER -113.82 127.21 55.91 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 107.476 -1.305 . . . . 75.44 107.476 175.058 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.09 153.26 41.33 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 117.984 0.356 . . . . 64.24 110.322 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.7 p -128.5 167.17 17.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.576 0.35 . . . . 74.34 110.658 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.1 p -92.73 -26.66 17.66 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.152 0.981 . . . . 74.04 111.737 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.7 -30.07 59.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.214 0.606 . . . . 72.03 112.254 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.64 -123.11 1.05 Allowed Glycine 0 C--N 1.348 1.215 0 CA-C-O 118.888 -0.951 . . . . 63.15 112.968 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -68.88 153.64 72.38 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 123.305 2.67 . . . . 54.14 112.791 -172.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.06 140.77 91.54 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.68 2.254 . . . . 73.04 112.626 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.04 125.97 40.95 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 124.188 0.995 . . . . 74.42 109.395 -176.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -83.27 133.46 34.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.255 0.622 . . . . 72.55 110.048 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -141.07 136.37 31.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.372 0.669 . . . . 62.11 109.754 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -94.37 132.19 39.24 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.413 -0.958 . . . . 73.41 108.413 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.535 ' HD2' HG21 ' A' ' 103' ' ' THR . 10.3 mtm180 -72.87 113.31 9.76 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.09 -0.707 . . . . 75.32 109.09 -175.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -84.05 -42.79 15.78 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.08 0.952 . . . . 72.04 111.191 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.99 174.61 15.09 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.165 -0.925 . . . . 74.14 109.895 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.565 HG12 HG22 ' A' ' 101' ' ' THR . 0.1 OUTLIER -139.24 119.89 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.025 0 N-CA-C 107.706 -1.22 . . . . 73.04 107.706 174.37 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' A' ' 104' ' ' ALA . 1.5 mm? -96.96 117.95 32.28 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.147 0.979 . . . . 61.1 110.798 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.58 121.26 6.19 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-O 119.648 -0.529 . . . . 72.53 112.136 -176.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.409 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 33.9 p90 -155.1 -176.21 5.82 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 117.587 0.693 . . . . 73.53 110.206 -173.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -135.07 160.06 39.53 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 123.133 0.573 . . . . 73.41 110.359 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.6 tp -159.02 135.11 8.96 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 107.247 -1.39 . . . . 72.14 107.247 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.11 -108.56 2.45 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-N 117.988 0.358 . . . . 64.43 112.954 -174.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -123.89 10.1 8.86 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.221 1.009 . . . . 70.42 109.39 175.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m -117.9 121.46 40.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.639 0.375 . . . . 72.11 110.952 -171.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -98.22 129.91 44.96 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.442 -0.947 . . . . 70.51 108.442 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -143.79 165.55 27.36 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.48 0.657 . . . . 75.13 110.582 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.565 HG22 HG12 ' A' ' 90' ' ' VAL . 3.2 m -124.89 119.34 28.53 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 107.091 -1.448 . . . . 73.33 107.091 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mp -104.67 133.94 48.66 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.386 -0.968 . . . . 72.11 108.386 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.535 HG21 ' HD2' ' A' ' 87' ' ' ARG . 58.3 m -84.65 133.55 34.4 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 120.823 0.344 . . . . 74.45 110.368 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.563 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -98.08 121.11 39.6 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 107.822 -1.177 . . . . 74.05 107.822 171.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -94.3 160.96 14.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.574 0.702 . . . . 74.15 111.384 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.508 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 42.3 ttm180 -101.78 113.38 26.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.057 -1.429 . . . . 73.2 108.412 -173.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.94 110.2 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.445 1.098 . . . . 61.15 108.841 177.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.3 122.76 13.28 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.636 1.575 . . . . 65.42 112.282 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.86 -16.7 56.19 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.756 -0.657 . . . . 54.42 113.429 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -88.21 120.74 29.86 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.664 0.786 . . . . 71.4 110.173 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.2 t -60.19 -24.67 64.98 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.377 1.471 . . . . 44.23 113.391 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.3 m -98.85 166.99 11.04 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.069 0.547 . . . . 61.23 111.249 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.501 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . 82.9 mt -101.36 137.48 39.65 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.715 1.206 . . . . 52.2 108.892 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -94.02 97.18 10.15 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.965 -0.754 . . . . 72.33 108.965 -170.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.563 HG22 ' HA ' ' A' ' 104' ' ' ALA . 55.1 t -104.96 107.22 58.17 Favored Pre-proline 0 N--CA 1.483 1.223 0 C-N-CA 123.008 0.523 . . . . 60.41 110.146 -176.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.8 144.97 17.66 Favored 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 122.215 1.943 . . . . 74.4 110.071 168.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -159.57 156.48 28.13 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 122.372 -0.205 . . . . 74.43 110.562 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.8 p -121.15 145.8 47.44 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.096 -0.705 . . . . 71.52 109.096 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -118.29 -173.77 2.53 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.547 1.139 . . . . 53.42 109.035 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -81.03 -21.47 40.12 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 109.994 -0.373 . . . . 75.44 109.994 163.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.9 m -71.53 -34.89 70.45 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.171 0.988 . . . . 63.03 111.004 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 60.4 p -71.41 -39.31 71.18 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.708 -0.678 . . . . 73.25 109.822 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.07 -35.21 77.95 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.131 0.972 . . . . 74.54 110.941 172.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -74.6 -18.53 60.55 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.551 1.14 . . . . 74.45 110.849 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 92.33 -21.59 37.09 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 119.138 -0.812 . . . . 42.41 114.96 175.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -73.19 -12.5 60.9 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 117.881 0.841 . . . . 61.31 113.205 -170.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.529 ' HB ' ' HD3' ' A' ' 132' ' ' ARG . 59.9 p -123.63 155.98 36.7 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 106.538 -1.653 . . . . 64.44 106.538 159.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.406 ' OH ' ' HB3' ' A' ' 160' ' ' ALA . 8.3 m-85 -40.89 118.19 0.95 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 113.685 0.994 . . . . 71.22 113.685 -170.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.15 -34.87 70.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.605 1.162 . . . . 55.34 112.69 -173.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -84.36 9.01 14.27 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.543 0.737 . . . . 61.41 111.591 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 108.02 178.21 22.13 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 116.049 -0.523 . . . . 74.04 112.273 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.788 HH11 ' HG3' ' A' ' 184' ' ' GLU . 78.3 mtm180 -130.74 -179.97 5.61 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 124.903 1.281 . . . . 71.21 108.854 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -126.49 157.46 38.65 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 124.686 1.195 . . . . 73.31 109.986 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.9 tt -141.93 121.13 13.02 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 105.28 -2.118 . . . . 72.34 105.28 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -98.19 109.34 22.11 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.096 -1.446 . . . . 75.41 107.096 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 113' ' ' LEU . 89.0 t -98.92 123.5 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 115.279 -0.873 . . . . 74.21 110.506 -169.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -82.35 114.71 53.33 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 107.115 -1.439 . . . . 65.23 107.115 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.33 -23.89 72.02 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.768 2.312 . . . . 74.33 113.619 -175.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.488 ' HB2' HG11 ' A' ' 8' ' ' VAL . . . 52.85 32.14 11.88 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 114.294 1.22 . . . . 65.3 114.294 176.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 65.86 25.76 71.98 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.661 -0.7 . . . . 73.43 113.997 -176.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.65 163.4 23.9 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.239 0.829 . . . . 65.4 113.239 -175.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -139.09 174.17 10.79 Favored 'General case' 0 C--O 1.253 1.275 0 C-N-CA 124.772 1.229 . . . . 71.33 108.119 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.66 108.74 2.12 Favored Glycine 0 C--N 1.342 0.917 0 C-N-CA 123.27 0.462 . . . . 75.3 113.495 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.35 10.44 44.77 Favored Glycine 0 C--N 1.343 0.949 0 O-C-N 124.142 0.554 . . . . 74.14 113.317 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.48 -170.75 3.22 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 109.33 -0.618 . . . . 75.54 109.33 167.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -128.15 158.73 37.23 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.775 0.43 . . . . 61.11 110.38 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 15.9 m -135.94 146.51 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 108.429 -0.952 . . . . 75.43 108.429 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.8 105.96 6.11 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 122.738 0.415 . . . . 61.03 110.506 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 7.3 mt -94.81 86.32 4.67 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-O 122.548 1.166 . . . . 64.21 109.228 173.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.64 105.97 17.71 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 113.421 -1.718 . . . . 74.12 109.027 173.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.539 ' HB3' HG21 ' A' ' 180' ' ' ILE . 24.9 m-85 -71.59 -15.27 62.26 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.514 0.726 . . . . 73.45 110.481 174.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.534 ' HB3' ' HB1' ' A' ' 182' ' ' ALA . 2.0 p-10 -76.69 -3.83 40.06 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.56 1.144 . . . . 71.44 112.681 173.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -112.44 5.61 18.18 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.176 0.591 . . . . 53.2 111.151 168.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.79 131.02 49.62 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.41 0.624 . . . . 50.22 111.845 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -99.45 166.47 11.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.103 1.361 . . . . 74.01 109.665 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -152.48 141.97 14.57 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 124.467 1.107 . . . . 74.1 108.165 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.39 120.43 7.38 Favored 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 121.212 1.274 . . . . 71.11 110.605 177.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.432 ' CD1' HD12 ' A' ' 30' ' ' LEU . 86.0 m-85 -85.6 -2.75 58.49 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.742 0.817 . . . . 75.21 112.338 -175.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 11.0 m -62.02 -20.4 63.88 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.183 0.993 . . . . 61.34 112.197 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.428 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . . . -63.7 -32.47 73.97 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.0 0.52 . . . . 45.35 112.063 174.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -65.07 -12.3 49.1 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.652 0.781 . . . . 72.51 110.962 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.688 ' HA2' ' HD3' ' A' ' 39' ' ' PRO . . . -93.23 -40.13 4.91 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 124.122 0.889 . . . . 50.31 111.042 172.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 163.71 -40.65 0.32 Allowed Glycine 0 C--N 1.352 1.434 0 O-C-N 123.39 0.112 . . . . 53.15 112.876 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 27.1 t -157.26 162.29 39.21 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.037 0.935 . . . . 64.54 109.542 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 160' ' ' ALA . 2.0 p90 -152.96 139.19 18.39 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.667 0.387 . . . . 72.33 110.868 -168.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 63.3 p -83.64 94.12 8.03 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 109.26 -0.645 . . . . 75.22 109.26 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . . . . . . . . . 53.2 t -121.93 112.68 18.6 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 108.229 -1.026 . . . . 65.34 108.229 173.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' A' ' 75' ' ' LEU . . . -71.15 112.19 7.1 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 108.225 -1.028 . . . . 60.21 108.225 170.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 68.6 mt -59.18 122.69 65.24 Favored Pre-proline 0 CA--C 1.547 0.864 0 O-C-N 124.405 1.065 . . . . 71.31 109.613 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.71 146.67 96.54 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.792 2.328 . . . . 73.34 112.479 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.19 158.73 21.05 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 122.243 1.962 . . . . 74.23 112.571 168.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -54.04 -27.96 35.58 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 114.022 1.119 . . . . 75.14 114.022 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -79.46 -15.39 57.88 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.178 0.513 . . . . 74.05 110.753 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.447 HD21 ' H ' ' A' ' 103' ' ' THR . 9.0 m120 -88.73 8.24 29.79 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.163 0.985 . . . . 74.11 110.66 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -90.25 122.86 33.55 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.854 -0.529 . . . . 61.03 109.91 172.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 41.4 t -98.43 109.99 54.83 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.568 1.147 . . . . 74.24 108.094 170.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.69 57.04 2.4 Favored 'Trans proline' 0 C--N 1.374 1.913 0 C-N-CA 124.087 3.191 . . . . 73.24 113.274 173.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -146.06 145.1 30.44 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.292 1.037 . . . . 73.45 108.892 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -84.35 103.5 13.57 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.281 0.633 . . . . 35.4 109.441 177.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . 0.539 HG21 ' HB3' ' A' ' 151' ' ' PHE . 1.9 mp -85.95 98.02 6.36 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 108.463 -0.94 . . . . 64.13 108.463 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 40.7 p -105.44 67.75 0.78 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 122.547 1.165 . . . . 63.22 108.77 171.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.534 ' HB1' ' HB3' ' A' ' 152' ' ' ASN . . . -99.32 -174.64 2.79 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 113.571 -1.65 . . . . 64.12 106.79 170.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -75.31 92.14 0.85 Allowed Glycine 0 C--N 1.359 1.824 0 C-N-CA 118.2 -1.952 . . . . 62.31 111.42 -178.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . 0.788 ' HG3' HH11 ' A' ' 132' ' ' ARG . 0.3 OUTLIER -143.7 160.46 40.66 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.865 2.066 . . . . 72.24 107.593 170.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.473 ' HB2' ' HA ' ' A' ' 51' ' ' TYR . 75.3 ttt-85 -171.93 135.39 0.82 Allowed 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 117.925 0.33 . . . . 64.24 110.842 169.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 12.2 t -124.33 150.46 29.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 N-CA-C 107.313 -1.366 . . . . 74.24 107.313 166.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . 0.538 ' HB2' HD23 ' A' ' 190' ' ' LEU . 14.1 m-20 -73.75 125.09 27.32 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.982 0.513 . . . . 63.22 110.754 -175.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -57.39 -23.44 49.25 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.334 1.054 . . . . 55.52 112.982 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -63.07 -36.38 83.39 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.179 0.991 . . . . 63.52 111.243 174.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.538 HD23 ' HB2' ' A' ' 187' ' ' ASP . 3.6 mm? -93.16 -56.51 2.93 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.65 0.78 . . . . 73.25 110.183 -178.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 . . . . . 0 C--O 1.251 1.172 0 C-N-CA 123.553 0.741 . . . . 63.34 109.659 177.589 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.961 0.41 . . . . 64.05 110.558 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.9 t -69.76 -38.69 10.03 Favored Pre-proline 0 CA--C 1.562 1.407 0 CA-C-N 115.249 -0.887 . . . . 44.42 110.397 166.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -71.24 166.52 28.99 Favored 'Trans proline' 0 C--N 1.387 2.579 0 C-N-CA 121.446 1.43 . . . . 72.22 111.423 162.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 tt -66.57 132.93 94.2 Favored Pre-proline 0 CA--C 1.561 1.369 0 N-CA-C 109.314 -0.624 . . . . 74.2 109.314 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 19.5 Cg_endo -67.48 127.43 16.45 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 121.936 1.757 . . . . 62.51 110.997 -177.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mt -172.63 -59.98 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 125.192 1.397 . . . . 74.34 108.953 -173.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -84.06 36.25 0.58 Allowed 'Trans proline' 0 C--N 1.393 2.874 0 C-N-CA 122.201 1.934 . . . . 72.14 112.618 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.65 -28.85 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.671 0.788 . . . . 74.11 109.603 171.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -87.78 104.13 16.28 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 106.432 -1.692 . . . . 75.25 106.432 156.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -71.53 -179.3 2.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.379 -0.826 . . . . 75.31 111.833 -169.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.8 t -54.24 135.45 44.28 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 109.225 -0.657 . . . . 75.51 109.225 172.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -45.86 -38.35 7.26 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 115.105 1.521 . . . . 64.43 115.105 -159.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.29 -52.61 21.61 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.915 0.486 . . . . 72.33 110.712 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -63.42 -42.83 98.74 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.748 0.819 . . . . 75.24 110.408 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.475 ' NE1' HD11 ' A' ' 19' ' ' ILE . 28.2 t90 -56.91 -49.11 76.59 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.885 1.274 . . . . 74.24 110.788 177.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.21 -42.67 99.01 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.476 -0.784 . . . . 74.43 110.735 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.48 99.35 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.777 0.673 . . . . 51.3 111.979 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 34.6 mmt180 -63.05 -47.84 81.27 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.71 0.404 . . . . 65.31 110.35 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.533 HG23 HD13 ' A' ' 153' ' ' LEU . 57.4 mt -65.31 -37.73 80.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 116.388 -0.369 . . . . 75.44 110.492 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . . . -60.6 -44.17 96.56 Favored 'General case' 0 C--O 1.251 1.169 0 C-N-CA 123.032 0.533 . . . . 75.33 110.314 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.29 93.61 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.92 -1.037 . . . . 73.1 110.445 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -68.78 -32.48 72.24 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.871 -0.604 . . . . 52.54 111.498 175.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.621 ' HE ' ' HA ' ' A' ' 20' ' ' ALA . 71.7 mtm180 -65.47 -51.47 59.88 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 107.668 -1.234 . . . . 72.41 107.668 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.55 -51.83 65.75 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.382 1.051 . . . . 65.22 111.301 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -67.53 -53.59 27.16 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 124.013 0.821 . . . . 51.02 112.046 -174.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HE3' ' CE1' ' A' ' 155' ' ' TYR . 29.3 mmmt -71.74 -20.28 61.91 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.649 0.379 . . . . 70.5 111.346 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.0 -38.39 27.58 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.156 0.582 . . . . 51.12 111.058 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -84.25 -16.66 42.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 122.249 -0.282 . . . . 64.35 111.104 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -47.5 -53.6 13.87 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.574 1.55 . . . . 73.41 112.107 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.64 HD13 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.91 -8.88 52.36 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 115.4 -0.818 . . . . 75.02 113.182 -174.128 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.51 -51.03 3.42 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.202 0.601 . . . . 61.01 110.295 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 p -81.46 -58.49 3.01 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.433 0.693 . . . . 54.24 110.848 -170.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -52.93 106.36 0.16 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.491 1.117 . . . . 62.14 110.915 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -76.69 -8.56 57.5 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.428 0.691 . . . . 72.22 111.682 -173.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -11.83 58.64 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.107 0.563 . . . . 72.34 109.821 172.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -142.35 59.09 8.38 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 123.247 0.619 . . . . 42.33 109.459 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -84.11 166.27 12.83 Favored 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.561 2.174 . . . . 73.4 113.376 -172.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -118.59 136.77 24.27 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 124.13 0.972 . . . . 72.14 108.661 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.2 135.21 59.21 Favored 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 123.057 2.505 . . . . 75.4 112.649 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.565 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 11.9 Cg_endo -52.73 -19.37 10.56 Favored 'Trans proline' 0 C--N 1.387 2.596 0 C-N-CA 124.063 3.175 . . . . 72.42 114.576 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.33 57.69 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.64 0.376 . . . . 63.42 111.323 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.43 -37.08 52.46 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.067 0.547 . . . . 74.41 110.002 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.565 ' HB3' ' HA ' ' A' ' 40' ' ' PRO . 75.3 ttt180 -68.23 -14.5 63.03 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.11 -0.95 . . . . 73.4 111.594 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.52 -36.43 92.57 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 111.51 -0.636 . . . . 65.32 111.51 171.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.82 2.19 31.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.842 0.857 . . . . 72.14 113.214 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -81.15 112.79 18.83 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 109.255 -0.646 . . . . 65.32 109.255 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -138.52 24.7 2.66 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.388 -1.338 . . . . 72.21 107.388 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.95 115.66 2.6 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 114.438 -1.256 . . . . 53.0 110.245 -165.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.428 HD22 ' H ' ' A' ' 49' ' ' LEU . 2.0 mm? -73.48 176.93 5.64 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 117.561 0.68 . . . . 73.15 109.731 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -70.83 112.88 7.37 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.197 0.522 . . . . 63.44 109.863 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -128.25 118.89 24.09 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.125 -1.435 . . . . 71.03 107.125 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -83.03 175.15 10.25 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.249 1.019 . . . . 74.34 109.761 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -78.04 169.97 17.38 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.575 -0.898 . . . . 70.31 108.575 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 mp -73.38 116.07 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 N-CA-C 109.523 -0.547 . . . . 62.11 109.523 -173.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -90.6 105.34 17.75 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.089 0.956 . . . . 75.24 110.339 -172.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.65 -17.1 58.06 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.19 0.596 . . . . 70.51 112.577 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.2 t -67.32 -47.46 70.47 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.562 0.745 . . . . 62.54 111.552 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -94.59 34.69 1.29 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.219 1.008 . . . . 73.25 112.598 -175.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 31.6 ptt180 -104.17 102.96 12.68 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.935 -1.135 . . . . 74.15 107.935 162.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.4 m -100.53 161.0 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.184 -0.673 . . . . 73.53 109.184 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.36 113.33 26.74 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.373 -0.973 . . . . 71.11 108.373 175.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.438 ' HB1' ' HB3' ' A' ' 91' ' ' LEU . . . -104.23 131.36 51.63 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.349 0.66 . . . . 61.21 109.909 -173.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -74.18 118.23 16.9 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 123.504 0.721 . . . . 74.32 109.14 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -84.34 123.34 30.08 Favored 'General case' 0 C--O 1.253 1.284 0 C-N-CA 124.65 1.18 . . . . 71.21 110.262 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -128.3 105.07 19.71 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 124.06 0.944 . . . . 74.31 108.601 170.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 89' ' ' ALA . 52.6 Cg_endo -66.42 150.04 84.47 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.458 2.105 . . . . 43.31 111.074 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.91 122.42 17.32 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.641 0.376 . . . . 63.35 110.642 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -54.41 -39.85 67.69 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.288 1.035 . . . . 75.12 111.462 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -128.52 94.17 36.08 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 123.353 0.661 . . . . 73.01 110.038 172.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.41 120.73 7.99 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.125 1.883 . . . . 73.22 111.188 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.467 ' HG2' ' HE ' ' A' ' 87' ' ' ARG . 10.9 pt-20 -139.16 156.23 47.28 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.252 0.621 . . . . 74.24 110.828 -176.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.56 121.45 25.26 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 123.57 0.544 . . . . 71.25 110.492 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.2 m -118.81 155.2 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.154 1.381 . . . . 62.23 108.563 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.86 129.35 46.72 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.402 0.62 . . . . 75.22 109.663 176.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.486 HD23 ' HD2' ' A' ' 85' ' ' TYR . 2.7 mm? -108.48 133.93 51.96 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 106.037 -1.838 . . . . 71.51 106.037 170.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.571 ' HB2' ' HB2' ' A' ' 169' ' ' LEU . 42.0 mt-10 -65.5 162.93 16.96 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 117.939 0.336 . . . . 62.45 110.455 -176.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.4 p -135.03 159.2 42.26 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.09 -0.707 . . . . 73.25 109.09 173.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.9 p -85.97 -22.91 27.11 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.124 -0.944 . . . . 71.33 110.863 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.483 ' HD3' ' HB3' ' A' ' 166' ' ' SER . 35.1 ptt85 -84.84 -25.42 28.09 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.438 0.903 . . . . 75.02 113.438 -175.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.84 -118.19 0.88 Allowed Glycine 0 N--CA 1.475 1.299 0 CA-C-O 118.667 -1.074 . . . . 31.24 112.475 -171.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -57.39 135.55 70.71 Favored 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 123.507 2.805 . . . . 55.24 112.601 -174.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.75 147.06 74.72 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.898 2.399 . . . . 61.13 112.639 -174.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.55 109.66 17.58 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.885 0.874 . . . . 74.21 109.103 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.12 127.53 41.25 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.783 0.433 . . . . 73.23 110.446 -176.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.571 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 56.7 m-85 -138.2 155.56 48.55 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.375 0.67 . . . . 73.1 109.226 -174.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 74.1 m -87.51 152.3 22.32 Favored 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 109.52 -0.548 . . . . 74.21 109.52 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.467 ' HE ' ' HG2' ' A' ' 71' ' ' GLU . 26.0 mtm180 -77.38 109.51 11.36 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.995 0.816 . . . . 74.15 109.786 174.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -88.83 -54.24 4.23 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.099 0.476 . . . . 63.24 111.06 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . . . -156.0 172.48 18.32 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.352 -0.84 . . . . 64.34 110.91 -171.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 36.5 t -136.08 120.37 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 N-CA-C 106.955 -1.498 . . . . 60.02 106.955 173.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.438 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 3.2 mm? -101.39 120.32 40.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.597 1.159 . . . . 73.3 110.873 -176.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.77 129.71 9.97 Favored Glycine 0 C--N 1.347 1.151 0 N-CA-C 110.777 -0.929 . . . . 42.42 110.777 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -152.19 -173.03 4.41 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 117.793 0.796 . . . . 73.44 108.993 -175.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.538 ' HA ' ' HA ' ' A' ' 99' ' ' HIS . 6.7 p-10 -129.07 139.9 51.82 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 122.516 0.326 . . . . 71.02 110.643 173.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.6 mt -146.89 139.89 25.27 Favored 'General case' 0 C--O 1.257 1.471 0 C-N-CA 124.594 1.158 . . . . 71.2 109.75 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.6 -109.27 2.25 Favored Glycine 0 C--N 1.347 1.191 0 O-C-N 124.045 0.841 . . . . 44.35 114.231 167.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.06 -31.09 62.71 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.615 1.166 . . . . 71.02 113.17 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.2 m -159.92 -179.41 7.79 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 114.504 1.298 . . . . 71.4 114.504 -166.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 94' ' ' ASP . 56.4 p-80 -84.48 119.72 25.48 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.201 -1.363 . . . . 70.21 108.595 171.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -127.55 163.12 24.87 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.801 0.84 . . . . 73.22 110.0 -171.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.0 m -135.81 141.8 44.77 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.141 -0.481 . . . . 74.55 111.169 -168.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.8 mt -123.19 141.35 52.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.635 0.774 . . . . 65.31 109.822 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.7 m -92.27 130.1 38.05 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.825 -0.435 . . . . 55.03 109.825 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.466 ' HA ' HG22 ' A' ' 115' ' ' VAL . . . -102.59 130.45 49.47 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.272 1.029 . . . . 73.34 109.666 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.571 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 55.1 m-85 -105.47 154.5 20.26 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 112.367 0.506 . . . . 71.22 112.367 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.582 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 55.9 ttm-85 -106.54 130.86 54.24 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.113 0.965 . . . . 63.22 108.783 -178.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.578 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 70.5 t -109.82 128.58 65.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.117 -0.947 . . . . 61.22 108.69 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.44 131.62 50.66 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.811 0.844 . . . . 73.3 110.389 172.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.06 -23.82 8.88 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.919 -0.378 . . . . 60.53 113.068 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.578 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 12.1 tp10 -105.07 130.83 53.17 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.552 0.741 . . . . 73.11 110.186 -176.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.7 t -81.52 -18.84 43.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.147 0.979 . . . . 61.34 111.746 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.3 m -95.38 138.56 32.9 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.054 0.542 . . . . 72.41 110.859 -176.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 138' ' ' PRO . 22.8 mt -81.9 130.16 34.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.533 1.133 . . . . 64.24 110.594 -176.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -88.06 112.67 22.89 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.073 -0.714 . . . . 74.15 109.073 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 104' ' ' ALA . 40.3 t -114.43 98.56 49.28 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.286 1.035 . . . . 65.13 109.024 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -80.04 130.59 8.46 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 122.254 1.97 . . . . 75.41 109.615 165.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -153.02 156.2 38.34 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.23 0.538 . . . . 75.14 112.017 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.6 p -113.55 155.33 25.59 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.898 -1.046 . . . . 44.45 108.634 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -137.07 -168.12 2.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.889 0.876 . . . . 72.53 109.152 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.06 -26.26 48.16 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.208 0.458 . . . . 63.41 111.079 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -25.74 68.0 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 123.955 0.902 . . . . 65.33 111.744 -175.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.453 HG22 ' HD1' ' A' ' 128' ' ' TYR . 69.8 p -66.53 -36.64 83.19 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.898 0.879 . . . . 73.13 112.191 176.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.88 -17.87 64.05 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.367 -0.833 . . . . 62.51 111.877 -174.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -74.08 -21.37 59.94 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.332 0.653 . . . . 64.43 111.545 173.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.24 -15.52 11.61 Favored Glycine 0 C--N 1.352 1.454 0 N-CA-C 115.134 0.814 . . . . 64.41 115.134 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -71.59 -53.9 12.22 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 117.523 0.661 . . . . 75.1 110.112 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.7 p -94.49 133.98 37.52 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 118.403 -0.808 . . . . 61.23 109.293 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.453 ' HD1' HG22 ' A' ' 122' ' ' THR . 7.3 p90 24.7 68.09 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 126.153 1.781 . . . . 71.21 114.721 165.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.06 -10.29 4.12 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 114.528 1.307 . . . . 55.22 114.528 -168.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -107.78 10.55 28.73 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.684 0.794 . . . . 72.43 112.343 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.441 ' HA2' HG21 ' A' ' 122' ' ' THR . . . 107.41 174.67 22.5 Favored Glycine 0 C--N 1.343 0.967 0 N-CA-C 111.476 -0.65 . . . . 70.42 111.476 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -119.86 153.53 35.68 Favored 'General case' 0 C--O 1.256 1.403 0 C-N-CA 124.113 0.965 . . . . 70.44 108.478 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.584 ' HD2' ' HD2' ' A' ' 155' ' ' TYR . 0.0 OUTLIER -100.55 165.13 11.57 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.236 -1.024 . . . . 75.42 108.236 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.478 HD22 HG22 ' A' ' 136' ' ' VAL . 0.8 OUTLIER -149.01 145.27 27.22 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 107.27 -1.382 . . . . 74.53 107.27 170.259 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -121.38 101.27 7.52 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 107.463 -1.31 . . . . 71.44 107.463 171.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.478 HG22 HD22 ' A' ' 134' ' ' LEU . 46.6 t -95.25 139.91 17.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 115.142 -0.936 . . . . 65.44 109.113 -171.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -85.81 117.59 69.01 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 108.03 -1.1 . . . . 63.23 108.03 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.416 ' HB3' HD11 ' A' ' 113' ' ' LEU . 35.4 Cg_endo -65.41 -24.41 57.18 Favored 'Trans proline' 0 C--N 1.382 2.317 0 C-N-CA 122.535 2.157 . . . . 52.04 112.376 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 62.91 19.62 11.68 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.739 1.275 . . . . 44.15 111.771 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.96 37.68 53.88 Favored Glycine 0 C--N 1.358 1.765 0 CA-C-N 116.145 -0.48 . . . . 65.0 113.815 -166.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -77.56 161.96 27.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.435 0.694 . . . . 74.24 110.1 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -136.3 -173.35 3.38 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.094 0.558 . . . . 74.4 110.69 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.38 108.66 2.04 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-N 115.012 -0.995 . . . . 64.03 113.126 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.8 -9.16 34.42 Favored Glycine 0 C--N 1.336 0.574 0 CA-C-O 119.506 -0.608 . . . . 64.3 113.463 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.455 ' HB3' ' HG2' ' A' ' 5' ' ' PRO . 26.5 m-20 -80.92 -179.63 7.41 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.544 -0.91 . . . . 75.24 108.544 169.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -138.9 155.34 48.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.69 0.757 . . . . 72.34 111.308 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.04 146.08 28.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 N-CA-C 107.294 -1.372 . . . . 73.52 107.294 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.89 122.1 25.02 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.905 -0.406 . . . . 74.21 109.905 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.4 mt -92.48 85.07 5.22 Favored 'General case' 0 C--O 1.249 1.054 0 N-CA-C 107.821 -1.177 . . . . 73.24 107.821 169.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.492 ' HB2' HD23 ' A' ' 153' ' ' LEU . 2.9 m-20 -79.71 100.85 8.09 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 114.23 -1.35 . . . . 54.44 107.479 170.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -69.4 -14.73 63.06 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.203 0.601 . . . . 75.4 110.766 178.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.547 ' HA ' ' H ' ' A' ' 183' ' ' GLY . 39.8 p30 -70.24 -23.82 62.97 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.471 0.708 . . . . 72.51 112.236 175.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.533 HD13 HG23 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -75.72 -20.92 58.0 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 118.878 -0.582 . . . . 60.44 111.414 176.08 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -40.49 139.25 0.81 Allowed 'General case' 0 N--CA 1.482 1.157 0 O-C-N 125.153 1.533 . . . . 74.21 114.064 -164.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.584 ' HD2' ' HD2' ' A' ' 133' ' ' TYR . 54.0 t80 -96.12 165.18 12.36 Favored 'General case' 0 C--O 1.262 1.712 0 CA-C-N 115.16 -0.927 . . . . 74.31 109.802 -168.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -94.56 122.2 61.46 Favored Pre-proline 0 N--CA 1.446 -0.653 0 CA-C-N 114.055 -1.43 . . . . 74.54 112.037 -160.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . 0.45 ' HB3' ' SG ' ' A' ' 167' ' ' CYS . 6.7 Cg_exo -76.3 125.6 8.57 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.561 2.174 . . . . 64.21 108.136 162.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 161' ' ' TYR . 69.5 m-85 -74.38 -4.59 37.37 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.849 0.685 . . . . 71.51 112.849 -172.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 66.1 m -64.78 -25.52 67.96 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.818 0.847 . . . . 54.31 111.392 170.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -80.91 9.69 6.09 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.981 0.913 . . . . 31.13 112.02 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 158' ' ' PHE . 37.3 m-85 -115.16 -8.87 12.36 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.316 1.047 . . . . 71.32 108.999 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 98.56 -87.64 0.82 Allowed Glycine 0 C--N 1.351 1.396 0 CA-C-N 115.877 -0.601 . . . . 45.43 113.26 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -94.95 22.76 36.45 Favored Glycine 0 N--CA 1.476 1.349 0 N-CA-C 114.561 0.584 . . . . 65.44 114.561 -165.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 16.5 p -140.04 68.9 1.35 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.367 -1.346 . . . . 74.02 107.367 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -88.83 78.47 7.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.852 0.834 . . . . 74.23 110.879 -162.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.483 ' HB3' ' HD3' ' A' ' 79' ' ' ARG . 16.2 p -119.37 100.77 7.51 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.705 0.802 . . . . 70.04 110.25 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 157' ' ' PRO . 43.8 t -130.28 133.61 46.62 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.518 0.727 . . . . 32.02 110.074 174.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -80.56 99.68 8.21 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 108.903 -0.777 . . . . 23.41 108.903 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.571 ' HB2' ' HB2' ' A' ' 76' ' ' GLU . 62.0 mt -68.13 121.69 81.12 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.363 1.065 . . . . 75.53 110.378 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.518 ' HB2' ' HB2' ' A' ' 174' ' ' ASN . 68.5 Cg_endo -82.33 166.13 16.24 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 123.09 2.526 . . . . 70.52 112.868 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.98 169.57 21.87 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.283 1.989 . . . . 73.13 111.767 169.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -62.15 -21.12 64.8 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.361 0.664 . . . . 72.13 112.194 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.04 -22.78 63.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.003 0.921 . . . . 73.23 111.056 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.518 ' HB2' ' HB2' ' A' ' 170' ' ' PRO . 3.9 m-20 -104.37 35.78 2.6 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.066 0.947 . . . . 74.45 109.833 176.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -109.44 124.23 50.68 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 109.042 -0.725 . . . . 74.34 109.042 170.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 41.8 t -97.49 120.26 61.11 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 108.613 -0.884 . . . . 73.41 108.613 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -73.62 50.05 1.94 Allowed 'Trans proline' 0 C--N 1.37 1.664 0 C-N-CA 123.792 2.995 . . . . 62.24 112.944 171.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -145.83 152.48 39.58 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.166 0.986 . . . . 74.12 108.555 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -93.44 113.07 25.13 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.762 0.425 . . . . 75.3 110.094 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.3 mp -96.87 98.27 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 108.274 -1.01 . . . . 65.04 108.274 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 26.9 p -97.31 58.39 1.5 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.488 1.137 . . . . 64.23 109.714 174.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -116.31 176.79 4.94 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 113.65 -1.613 . . . . 62.21 107.454 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.547 ' H ' ' HA ' ' A' ' 152' ' ' ASN . . . -39.05 108.86 0.09 OUTLIER Glycine 0 N--CA 1.492 2.382 0 O-C-N 124.417 1.073 . . . . 70.13 113.83 -171.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -127.17 157.76 38.88 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 124.57 1.148 . . . . 73.01 112.127 -160.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -101.09 125.35 47.7 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 114.154 -1.384 . . . . 74.23 108.537 170.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.29 140.13 16.85 Favored 'Isoleucine or valine' 0 C--O 1.244 0.815 0 N-CA-C 107.63 -1.248 . . . . 72.33 107.63 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.38 175.99 9.75 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.609 1.163 . . . . 60.32 109.373 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -148.89 21.8 0.99 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 122.892 0.477 . . . . 71.12 111.414 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -128.13 -50.56 1.32 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.335 0.654 . . . . 75.54 110.045 -177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.86 -61.54 1.74 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.014 0.926 . . . . 74.22 109.71 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.558 1.264 0 C-N-CA 123.616 0.766 . . . . 72.21 111.85 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.485 1.314 0 N-CA-C 109.869 -0.419 . . . . 54.32 109.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.458 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 7.4 m -68.37 -44.04 34.37 Favored Pre-proline 0 CA--C 1.568 1.639 0 C-N-CA 123.396 0.678 . . . . 73.32 110.516 174.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' A' ' 2' ' ' SER . 6.1 Cg_exo -78.26 -175.38 2.69 Favored 'Trans proline' 0 C--N 1.4 3.284 0 C-N-CA 122.53 2.153 . . . . 64.13 111.356 163.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.3 tt -56.45 130.59 76.28 Favored Pre-proline 0 CA--C 1.575 1.937 0 C-N-CA 123.476 0.711 . . . . 65.13 110.048 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.91 126.75 10.23 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.578 2.185 . . . . 64.33 111.446 -174.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -166.68 -55.05 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 124.378 1.071 . . . . 72.05 109.941 -170.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -84.82 26.18 0.66 Allowed 'Trans proline' 0 C--N 1.399 3.218 0 C-N-CA 122.343 2.028 . . . . 73.13 111.863 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.18 -26.32 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.418 1.487 . . . . 63.01 110.914 177.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -86.3 33.29 0.62 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.167 1.387 . . . . 71.14 110.673 173.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 40.94 -153.38 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.935 1.294 . . . . 63.53 113.83 -174.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -103.33 152.75 21.19 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 106.06 -1.83 . . . . 75.51 106.06 166.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -43.3 -45.44 5.92 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 114.901 1.445 . . . . 63.44 114.901 -168.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.84 -48.37 71.86 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.853 0.461 . . . . 64.34 111.86 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.26 -34.79 78.16 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.69 0.796 . . . . 44.53 111.744 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.487 ' O ' HG13 ' A' ' 19' ' ' ILE . 41.8 t90 -67.0 -44.97 78.99 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.772 1.229 . . . . 74.43 109.367 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -60.56 -39.64 88.72 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.847 -1.069 . . . . 75.34 110.546 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.02 -37.5 86.04 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.57 0.748 . . . . 74.52 112.093 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 2.7 mmp_? -61.42 -45.31 94.84 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.769 0.428 . . . . 55.41 110.752 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.538 HG21 HD12 ' A' ' 54' ' ' ILE . 58.0 mt -64.54 -48.1 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 123.965 0.791 . . . . 74.14 110.59 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.42 90.31 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.475 0.71 . . . . 71.21 111.433 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -46.81 74.37 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.631 0.772 . . . . 73.15 111.38 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -65.87 -35.63 81.19 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.006 0.922 . . . . 71.24 111.029 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -72.05 -44.04 63.98 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.466 1.106 . . . . 64.23 109.178 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.89 94.63 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.76 0.663 . . . . 63.55 110.584 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.78 -56.44 21.76 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 124.347 1.029 . . . . 65.42 110.414 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -66.06 -15.97 63.52 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.607 0.763 . . . . 73.02 112.711 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.3 -52.65 6.37 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.11 0.564 . . . . 34.4 110.783 175.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.87 -18.11 41.42 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 112.997 0.74 . . . . 74.3 112.997 -173.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.53 -52.19 66.41 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.07 0.548 . . . . 75.14 111.587 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.3 -9.15 58.42 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.167 -0.47 . . . . 73.22 112.03 -174.707 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.7 -49.55 6.79 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.428 0.691 . . . . 75.04 111.02 175.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.4 p -94.73 -57.28 2.51 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.845 0.858 . . . . 74.21 112.134 -171.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -64.79 127.49 31.76 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.622 0.769 . . . . 71.13 112.167 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -79.68 -6.87 58.06 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.846 1.259 . . . . 72.45 111.334 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.24 -5.2 34.22 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.848 0.859 . . . . 63.12 112.245 170.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.509 ' HA ' ' HZ ' ' A' ' 165' ' ' PHE . 43.5 t -156.95 80.72 3.46 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 107.925 -1.139 . . . . 73.13 107.925 172.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.03 126.35 5.02 Favored 'Trans proline' 0 C--N 1.366 1.5 0 C-N-CA 121.794 1.662 . . . . 73.22 112.017 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.55 HD11 HD23 ' A' ' 30' ' ' LEU . 44.0 mt -68.9 135.36 89.81 Favored Pre-proline 0 CA--C 1.559 1.301 0 N-CA-C 108.454 -0.943 . . . . 65.51 108.454 170.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -46.39 131.42 15.09 Favored 'Trans proline' 0 C--N 1.385 2.47 0 C-N-CA 123.632 2.888 . . . . 62.52 112.52 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -53.38 -30.41 52.64 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 124.822 3.681 . . . . 73.03 116.38 -162.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.52 -41.56 65.76 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 121.042 0.448 . . . . 53.55 110.899 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.49 -38.19 62.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.189 0.996 . . . . 64.51 109.13 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -71.96 -22.93 61.38 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.899 -1.046 . . . . 73.45 110.646 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.73 -39.81 90.12 Favored Glycine 0 C--N 1.346 1.114 0 N-CA-C 111.625 -0.59 . . . . 72.22 111.625 172.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.19 11.64 13.58 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.992 0.917 . . . . 74.25 113.043 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -80.33 131.35 35.62 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.962 0.41 . . . . 74.42 110.805 -173.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -127.32 -39.0 1.91 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.54 1.136 . . . . 74.14 108.932 166.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.22 146.34 4.64 Favored Glycine 0 C--N 1.343 0.947 0 CA-C-O 119.347 -0.696 . . . . 53.13 111.536 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.597 HD21 HD21 ' A' ' 30' ' ' LEU . 2.4 mm? -70.79 146.23 49.88 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.99 0.516 . . . . 74.01 110.236 -175.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -72.48 115.87 12.26 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.042 -0.725 . . . . 74.0 109.042 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -91.47 138.9 31.21 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.511 -0.768 . . . . 65.32 109.848 -172.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -86.25 158.36 19.73 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.016 0.926 . . . . 72.2 109.742 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.81 162.83 28.48 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.377 0.671 . . . . 75.41 110.841 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.538 HD12 HG21 ' A' ' 19' ' ' ILE . 23.3 mm -86.38 113.39 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.88 -0.785 . . . . 75.31 108.88 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -93.18 95.05 9.15 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 123.692 0.797 . . . . 65.24 109.561 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.87 -9.96 59.65 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.136 -0.938 . . . . 52.43 111.009 173.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.8 m -66.69 -51.73 52.79 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.741 0.816 . . . . 73.34 111.17 172.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.406 ' HB3' ' HB2' ' A' ' 151' ' ' PHE . 77.9 m-85 -92.72 31.46 1.37 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.918 0.887 . . . . 73.51 113.276 -171.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 150' ' ' ASP . 6.2 ptm180 -99.92 100.2 11.08 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.483 0.659 . . . . 74.44 109.308 173.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.4 m -101.46 173.47 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 121.739 -0.601 . . . . 53.33 110.003 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.94 120.93 36.9 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.026 -1.101 . . . . 65.02 108.026 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.59 141.23 38.2 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.629 0.772 . . . . 44.12 109.624 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -74.25 113.08 11.04 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.119 -0.697 . . . . 63.33 109.119 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -74.15 119.92 19.02 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 123.591 0.756 . . . . 72.24 109.653 -177.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -117.0 114.52 39.07 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 107.087 -1.449 . . . . 51.01 107.087 169.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -70.03 157.29 60.36 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 122.021 1.814 . . . . 74.3 110.811 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.04 110.38 2.13 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.118 -0.697 . . . . 75.03 109.118 170.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -51.28 -36.35 41.87 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.493 1.117 . . . . 74.53 111.436 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -156.69 104.62 1.97 Allowed Pre-proline 0 CA--C 1.545 0.783 0 N-CA-C 107.906 -1.146 . . . . 65.44 107.906 169.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.33 141.59 93.18 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 123.396 2.731 . . . . 64.24 114.099 -174.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -136.0 161.8 34.65 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.966 1.307 . . . . 75.32 110.074 176.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.47 135.86 37.77 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.634 0.774 . . . . 72.34 110.279 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.1 m -129.12 150.91 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.746 0.818 . . . . 41.34 109.242 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -102.6 109.6 21.27 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.84 -0.8 . . . . 73.22 108.84 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 85' ' ' TYR . 2.4 mm? -93.81 122.22 36.06 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 107.344 -1.354 . . . . 62.44 107.344 177.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.458 ' HA ' ' HB3' ' A' ' 82' ' ' PRO . 36.5 mt-10 -66.28 147.94 52.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.87 0.468 . . . . 73.44 109.8 -176.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.448 ' HB ' ' HB2' ' A' ' 166' ' ' SER . 52.7 p -121.45 156.2 33.24 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.113 0.482 . . . . 74.23 110.711 -174.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.8 p -77.25 -39.11 49.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.644 1.178 . . . . 61.25 111.139 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -83.29 -16.91 44.42 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.17 0.988 . . . . 74.2 112.207 -170.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.3 -125.7 1.35 Allowed Glycine 0 C--N 1.359 1.808 0 CA-C-O 118.904 -0.942 . . . . 72.01 113.963 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.39 146.11 44.3 Favored 'Trans proline' 0 C--N 1.382 2.338 0 C-N-CA 123.705 2.937 . . . . 74.52 113.193 -175.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.458 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . 28.8 Cg_endo -61.0 160.68 24.89 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 123.044 2.496 . . . . 74.54 113.208 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.68 131.02 55.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.165 0.986 . . . . 71.43 110.265 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -82.3 124.22 29.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.434 0.694 . . . . 54.02 109.533 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.562 ' HB3' ' HB3' ' A' ' 105' ' ' PHE . 46.2 m-85 -127.28 140.68 52.05 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.705 -1.22 . . . . 64.22 107.705 175.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.3 m -91.9 135.56 33.84 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 108.844 -0.798 . . . . 75.14 108.844 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -72.95 112.09 8.66 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.537 -0.542 . . . . 71.31 109.537 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.532 ' HB2' ' HB2' ' A' ' 106' ' ' ARG . . . -82.96 -44.34 15.42 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 123.934 0.893 . . . . 72.23 110.737 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -161.48 175.96 11.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 114.79 -1.095 . . . . 73.11 110.439 -174.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 36.4 t -136.64 129.22 45.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 125.542 1.537 . . . . 74.05 107.197 170.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 101' ' ' THR . 2.4 mm? -99.61 121.56 41.38 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.813 0.845 . . . . 55.14 109.662 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.21 124.09 7.16 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 111.303 -0.719 . . . . 42.41 111.303 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.403 ' HE2' HD12 ' A' ' 95' ' ' LEU . 47.6 p90 -152.15 175.0 13.04 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 117.257 0.528 . . . . 71.14 109.753 -174.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -110.31 152.89 25.63 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 107.99 -1.115 . . . . 74.02 107.99 171.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.481 HD13 HG11 ' A' ' 176' ' ' VAL . 1.6 tt -160.21 130.35 5.37 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 106.789 -1.56 . . . . 74.33 106.789 -175.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.99 -103.63 1.5 Allowed Glycine 0 C--N 1.347 1.167 0 N-CA-C 109.725 -1.35 . . . . 73.22 109.725 -173.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -136.62 16.75 3.12 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.902 0.881 . . . . 71.2 109.283 169.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.6 m -128.8 147.09 50.77 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.131 0.572 . . . . 33.31 111.405 -170.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -86.04 136.68 33.14 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.451 -0.795 . . . . 74.12 109.369 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -140.59 149.49 42.43 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 121.521 0.677 . . . . 70.41 110.13 173.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.87 125.16 46.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 113.892 -1.504 . . . . 73.24 107.954 175.746 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 66.1 mt -109.39 132.96 53.64 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 108.52 -0.918 . . . . 53.21 108.52 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.5 m -85.59 129.78 34.74 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 109.725 -0.472 . . . . 71.43 109.725 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.08 124.94 44.45 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.985 1.314 . . . . 24.25 108.802 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.562 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . 55.6 m-85 -102.22 168.56 9.28 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.925 0.89 . . . . 75.41 111.326 -176.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.532 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 49.7 ttm-85 -120.48 113.79 20.83 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.882 1.273 . . . . 73.15 107.692 -170.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 110' ' ' GLU . 60.4 t -92.46 154.51 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.722 1.209 . . . . 75.41 109.324 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.98 101.65 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 121.752 0.787 . . . . 74.34 111.3 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 70.57 29.83 69.36 Favored Glycine 0 CA--C 1.538 1.501 0 CA-C-N 115.005 -0.998 . . . . 34.21 113.706 174.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.552 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -67.28 172.93 4.28 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.862 0.865 . . . . 72.4 112.233 -172.745 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.3 m -118.36 -36.35 3.56 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.706 0.802 . . . . 65.12 109.2 167.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.1 m -111.85 142.91 43.63 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.09 -0.959 . . . . 52.42 110.075 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.11 148.29 28.61 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.46 1.104 . . . . 53.32 109.34 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -100.29 114.69 28.36 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.796 0.838 . . . . 72.34 109.842 -172.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 88.1 t -110.23 94.8 19.35 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 109.211 -0.662 . . . . 65.25 109.211 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -84.96 111.58 1.41 Allowed 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.24 1.96 . . . . 73.45 109.547 170.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.543 ' HA ' ' HB3' ' A' ' 174' ' ' ASN . 16.7 p90 -129.65 176.15 8.23 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.188 0.995 . . . . 72.33 109.281 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.526 HG23 ' HG3' ' A' ' 170' ' ' PRO . 1.2 p -135.73 161.78 34.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.181 0.593 . . . . 75.21 109.992 175.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.12 -178.77 4.78 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.251 -1.341 . . . . 73.25 109.536 -169.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.74 -33.72 66.58 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 119.231 -0.414 . . . . 70.01 110.772 165.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 54.1 p -60.73 -46.11 91.66 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.166 0.986 . . . . 72.12 111.141 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.571 ' HB ' ' HA ' ' A' ' 129' ' ' GLU . 66.7 p -64.31 -45.18 89.06 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.786 -1.097 . . . . 72.32 110.15 177.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.2 -30.2 70.61 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.229 1.012 . . . . 70.2 112.058 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -78.07 -1.52 32.76 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.926 0.89 . . . . 54.4 111.748 174.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.6 73.44 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 123.429 0.538 . . . . 44.44 114.203 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -84.88 -29.12 25.49 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 121.525 0.678 . . . . 70.4 110.315 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.717 ' HA ' ' HA ' ' A' ' 186' ' ' VAL . 43.9 p -130.87 173.55 10.85 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 125.633 1.573 . . . . 53.45 109.403 177.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.529 ' HA ' ' HB2' ' A' ' 187' ' ' ASP . 26.1 t80 -64.28 104.32 0.74 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.006 0.523 . . . . 73.34 112.042 -166.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.571 ' HA ' ' HB ' ' A' ' 122' ' ' THR . 15.5 pt-20 -63.94 -27.87 69.44 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.467 1.107 . . . . 74.45 113.343 -169.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -82.19 -5.95 58.85 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.476 0.711 . . . . 54.11 112.698 -172.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.63 150.36 5.22 Favored Glycine 0 C--N 1.352 1.448 0 C-N-CA 121.75 -0.262 . . . . 64.35 113.346 173.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 117' ' ' PHE . 4.5 ptm180 -128.87 138.81 52.24 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.42 -1.326 . . . . 75.21 107.42 172.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.09 155.36 17.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.7 0.8 . . . . 64.01 110.729 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.05 131.82 39.28 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 107.408 -1.33 . . . . 73.33 107.408 168.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -92.77 112.81 24.89 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 108.012 -1.107 . . . . 75.45 108.012 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.0 t -116.36 112.76 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.052 -0.722 . . . . 74.25 109.052 -173.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -85.02 125.28 70.91 Favored Pre-proline 0 CA--C 1.543 0.678 0 N-CA-C 108.4 -0.963 . . . . 60.21 108.4 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -60.33 -33.55 94.33 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.941 2.427 . . . . 70.04 112.588 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 48.86 40.0 15.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.778 1.231 . . . . 71.32 112.818 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 52.93 37.55 53.42 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 115.107 -0.951 . . . . 63.22 114.842 -176.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -81.19 156.52 25.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.994 0.517 . . . . 43.33 111.244 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -121.82 175.45 6.27 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.758 1.223 . . . . 73.24 109.587 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -55.13 112.58 3.0 Favored Glycine 0 C--N 1.349 1.256 0 O-C-N 124.263 0.977 . . . . 64.01 113.73 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.03 0.59 58.62 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-O 119.504 -0.609 . . . . 64.43 114.108 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -79.55 -175.67 4.9 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 108.132 -1.062 . . . . 71.14 108.132 164.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -139.74 155.86 47.1 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.926 0.87 . . . . 73.42 111.955 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 22.8 m -132.16 162.42 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 125.684 1.594 . . . . 75.45 107.71 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -86.55 121.35 28.96 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 122.586 0.355 . . . . 70.04 110.359 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.3 mt -102.97 83.73 2.27 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 107.971 -1.122 . . . . 64.14 107.971 168.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.543 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 7.5 m-20 -79.42 99.1 7.04 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 107.487 -1.301 . . . . 73.35 107.487 174.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.406 ' HB2' ' HB3' ' A' ' 58' ' ' PHE . 25.6 m-85 -66.06 -16.8 64.24 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 123.683 0.793 . . . . 74.31 112.736 -176.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -56.01 -31.45 63.09 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.791 0.837 . . . . 73.41 110.989 170.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' A' ' 150' ' ' ASP . 3.5 mm? -92.16 19.9 6.46 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.377 1.071 . . . . 55.42 111.628 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.85 107.36 1.8 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 109.156 -0.683 . . . . 61.0 109.156 165.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -105.74 132.11 52.26 Favored 'General case' 0 C--O 1.212 -0.906 0 N-CA-C 108.206 -1.035 . . . . 71.44 108.206 -178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 128' ' ' TYR . 13.4 m120 -97.67 146.68 31.84 Favored Pre-proline 0 N--CA 1.481 1.1 0 N-CA-C 108.249 -1.019 . . . . 75.31 108.249 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . 0.541 ' HG2' ' SG ' ' A' ' 159' ' ' CYS . 27.2 Cg_endo -59.08 168.0 5.11 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 123.135 2.557 . . . . 62.24 113.173 -176.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.427 ' CD1' HD12 ' A' ' 30' ' ' LEU . 31.9 m-85 -66.7 -7.51 21.36 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.489 0.922 . . . . 65.22 113.489 -174.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' CYS . . . . . 0.541 ' SG ' ' HG2' ' A' ' 157' ' ' PRO . 10.4 p -72.37 -29.71 64.03 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.597 0.759 . . . . 70.44 110.918 172.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.24 61.05 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.553 0.741 . . . . 60.44 110.651 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -86.42 2.28 48.27 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.412 1.085 . . . . 74.2 110.88 174.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 101.54 -7.69 56.14 Favored Glycine 0 C--N 1.355 1.63 0 N-CA-C 114.645 0.618 . . . . 44.25 114.645 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 159' ' ' CYS . . . -74.81 159.58 52.23 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-N 117.646 0.723 . . . . 61.11 113.283 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 49.5 p -83.98 70.28 10.43 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.457 0.646 . . . . 73.14 110.788 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.509 ' HZ ' ' HA ' ' A' ' 36' ' ' SER . 83.0 m-85 -123.47 164.48 18.84 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.468 0.707 . . . . 74.1 112.192 -175.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.448 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 32.7 p -99.91 130.39 46.09 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.515 -1.22 . . . . 74.51 110.586 -175.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 77' ' ' THR . 50.9 t -97.06 131.78 43.51 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.211 -0.663 . . . . 74.22 109.211 173.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.29 101.34 4.66 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.253 -1.017 . . . . 75.35 108.253 170.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.33 134.07 93.21 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 123.509 0.724 . . . . 70.1 110.119 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.526 ' HG3' HG23 ' A' ' 118' ' ' THR . 58.0 Cg_endo -68.23 145.06 65.01 Favored 'Trans proline' 0 C--N 1.369 1.637 0 C-N-CA 122.865 2.377 . . . . 73.42 113.066 -171.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -52.55 151.19 19.31 Favored 'Trans proline' 0 C--N 1.372 1.788 0 C-N-CA 122.95 2.434 . . . . 74.32 112.04 163.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -41.02 -45.24 2.58 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 114.313 1.227 . . . . 72.44 114.313 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -86.5 0.59 53.93 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.591 0.756 . . . . 75.55 111.915 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.543 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . 3.0 m-20 -92.62 -8.31 44.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.089 -0.505 . . . . 63.3 110.698 174.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -80.68 103.02 10.25 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 108.313 -0.995 . . . . 74.41 108.313 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.481 HG11 HD13 ' A' ' 95' ' ' LEU . 47.2 t -85.45 124.37 71.65 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 123.67 0.788 . . . . 73.43 109.295 -177.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.62 50.77 3.52 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 123.92 3.08 . . . . 75.1 112.022 175.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -146.69 149.47 33.5 Favored 'General case' 0 C--O 1.247 0.966 0 C-N-CA 123.592 0.757 . . . . 64.33 109.71 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -96.97 100.35 11.86 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.291 -0.868 . . . . 74.33 110.241 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 2.5 mp -102.53 91.14 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 106.093 -1.818 . . . . 64.45 106.093 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 12.5 p -80.99 73.13 8.04 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.368 -0.833 . . . . 74.1 108.93 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -116.75 162.01 18.36 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 124.947 1.299 . . . . 72.21 108.159 177.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -70.71 103.05 1.12 Allowed Glycine 0 C--N 1.346 1.09 0 CA-C-O 121.316 0.398 . . . . 73.35 112.693 -170.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -132.85 157.98 43.67 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 125.672 1.589 . . . . 62.22 108.36 173.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.642 ' HD3' ' H ' ' A' ' 186' ' ' VAL . 0.0 OUTLIER -68.06 173.41 4.64 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-O 121.407 0.622 . . . . 75.11 109.867 175.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.717 ' HA ' ' HA ' ' A' ' 127' ' ' THR . 33.6 m -124.34 157.85 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.256 0.622 . . . . 72.04 110.84 -163.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . 0.542 ' O ' ' HG3' ' A' ' 191' ' ' GLU . 10.1 t70 -85.99 97.27 10.17 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.991 -0.744 . . . . 70.01 108.991 -179.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -71.74 17.37 0.09 Allowed 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 113.844 1.053 . . . . 75.4 113.844 -172.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -116.05 -35.41 4.41 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.852 0.861 . . . . 72.51 109.888 170.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.31 -54.75 4.04 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.185 0.994 . . . . 73.41 112.019 -175.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 187' ' ' ASP . 1.3 pp20? . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 118.564 -0.731 . . . . 65.12 112.222 -178.595 . . . . . . . . 1 1 . 1 stop_ save_